(2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol

C17H25N5O — CID 97205363

IUPAC(2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
SMILESCc1cc(C)c2c(NC[C@@H](O)CN3CCCCC3)ncnc2n1
InChIInChI=1S/C17H25N5O/c1-12-8-13(2)21-17-15(12)16(19-11-20-17)18-9-14(23)10-22-6-4-3-5-7-22/h8,11,14,23H,3-7,9-10H2,1-2H3,(H,18,19,20,21)/t14-/m1/s1
InChIKeyGKOGZRDHDNLAQC-CQSZACIVSA-N
MW315.42 g/mol
LogP1.90
Rot. Bonds5

About (2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol

(2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol (PubChem CID 97205363) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
PubChem CID97205363
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
SMILESCc1cc(C)c2c(NC[C@@H](O)CN3CCCCC3)ncnc2n1
InChIInChI=1S/C17H25N5O/c1-12-8-13(2)21-17-15(12)16(19-11-20-17)18-9-14(23)10-22-6-4-3-5-7-22/h8,11,14,23H,3-7,9-10H2,1-2H3,(H,18,19,20,21)/t14-/m1/s1
InChIKeyGKOGZRDHDNLAQC-CQSZACIVSA-N
XLogP1.90
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 97187638
(2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 97192366
5,7-dimethyl-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97190501
5,7-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97190031
(3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol
CID 97189429
5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97210458
5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine
CID 72858601
1-(azepan-1-yl)-3-[(6-methoxypyrimidin-4-yl)amino]propan-2-ol
CID 50980830
4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine
CID 72870631
1-pyrrolidin-1-yl-3-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)propan-2-ol
CID 56902636
1-[[7-(2-methyltetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]amino]-3-piperidin-1-ylpropan-2-ol
CID 156516611
4,6-dimethyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 62992143

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol (CID 97205363) is (2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol is Cc1cc(C)c2c(NC[C@@H](O)CN3CCCCC3)ncnc2n1.
What is the InChIKey of (2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is GKOGZRDHDNLAQC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-8-13(2)21-17-15(12)16(19-11-20-17)18-9-14(23)10-22-6-4-3-5-7-22/h8,11,14,23H,3-7,9-10H2,1-2H3,(H,18,19,20,21)/t14-/m1/s1.
What are the key properties of (2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
(2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 315.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 97205363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).