1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol

C21H29N5O — CID 72921537

IUPAC1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESCN(CC1Cc2ccccc2CN1C)c1cc(N2CCC(O)CC2)ncn1
InChIInChI=1S/C21H29N5O/c1-24-13-17-6-4-3-5-16(17)11-18(24)14-25(2)20-12-21(23-15-22-20)26-9-7-19(27)8-10-26/h3-6,12,15,18-19,27H,7-11,13-14H2,1-2H3
InChIKeyCVALQSJPEBCABV-UHFFFAOYSA-N
MW367.50 g/mol
LogP1.93
Rot. Bonds4

About 1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol

1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 72921537) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
PubChem CID72921537
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESCN(CC1Cc2ccccc2CN1C)c1cc(N2CCC(O)CC2)ncn1
InChIInChI=1S/C21H29N5O/c1-24-13-17-6-4-3-5-16(17)11-18(24)14-25(2)20-12-21(23-15-22-20)26-9-7-19(27)8-10-26/h3-6,12,15,18-19,27H,7-11,13-14H2,1-2H3
InChIKeyCVALQSJPEBCABV-UHFFFAOYSA-N
XLogP1.93
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol with MolForge

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine
CID 131949346
1-[6-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 72918772
6-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpyrimidin-4-amine
CID 122282250
1-[6-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 134708759
2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine
CID 90146772
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]quinoxaline-6-carboxamide
CID 70785842
[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methanol;molecular hydrogen
CID 177039068
(3R)-2-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 140914018
(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanethiol
CID 20699474
2-[[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 134701216
N-benzyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112859436
2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 115265221

Frequently Asked Questions

What is the IUPAC name of 1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol (CID 72921537) is 1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol is CN(CC1Cc2ccccc2CN1C)c1cc(N2CCC(O)CC2)ncn1.
What is the InChIKey of 1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is CVALQSJPEBCABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-24-13-17-6-4-3-5-16(17)11-18(24)14-25(2)20-12-21(23-15-22-20)26-9-7-19(27)8-10-26/h3-6,12,15,18-19,27H,7-11,13-14H2,1-2H3.
What are the key properties of 1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?
1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 367.50 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 72921537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).