(1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol

C26H33N7O — CID 59984439

IUPAC(1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H]1CN(c2ccnc([C@@H](C)O)n2)C[C@H](C)N1CN1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C26H33N7O/c1-18-14-32(24-9-11-27-25(30-24)20(3)34)15-19(2)33(18)17-31-12-10-23-22(16-31)13-28-26(29-23)21-7-5-4-6-8-21/h4-9,11,13,18-20,34H,10,12,14-17H2,1-3H3/t18-,19+,20-/m1/s1
InChIKeyZRVFGMIVAICGEK-HSALFYBXSA-N
MW459.60 g/mol
LogP2.90
Rot. Bonds5

About (1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol

(1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 59984439) has the molecular formula C26H33N7O and a molecular weight of 459.60 g/mol. Its IUPAC name is (1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID59984439
Molecular FormulaC26H33N7O
Molecular Weight459.60 g/mol
Exact Mass459.27
IUPAC Name(1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H]1CN(c2ccnc([C@@H](C)O)n2)C[C@H](C)N1CN1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C26H33N7O/c1-18-14-32(24-9-11-27-25(30-24)20(3)34)15-19(2)33(18)17-31-12-10-23-22(16-31)13-28-26(29-23)21-7-5-4-6-8-21/h4-9,11,13,18-20,34H,10,12,14-17H2,1-3H3/t18-,19+,20-/m1/s1
InChIKeyZRVFGMIVAICGEK-HSALFYBXSA-N
XLogP2.90
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.60
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyrimidin-2-yl]ethanol
CID 22328619
1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22088649
2-phenyl-6-[(2-phenylpyrimidin-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912922
1-[4-(3-methyl-4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-2-yl]ethanol
CID 22088662
6-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913048
6-[(1-methylimidazol-4-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913300
3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine
CID 24911662
(2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 124840029
6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916450
2-methyl-6-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929641
2-phenyl-6-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908452
6-[(3-fluoro-2-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917268

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 59984439) is (1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol is C[C@@H]1CN(c2ccnc([C@@H](C)O)n2)C[C@H](C)N1CN1CCc2nc(-c3ccccc3)ncc2C1.
What is the InChIKey of (1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is ZRVFGMIVAICGEK-HSALFYBXSA-N. The full InChI is InChI=1S/C26H33N7O/c1-18-14-32(24-9-11-27-25(30-24)20(3)34)15-19(2)33(18)17-31-12-10-23-22(16-31)13-28-26(29-23)21-7-5-4-6-8-21/h4-9,11,13,18-20,34H,10,12,14-17H2,1-3H3/t18-,19+,20-/m1/s1.
What are the key properties of (1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 459.60 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(3R,5S)-3,5-dimethyl-4-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 59984439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).