2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol

C16H20N4O — CID 166225615

IUPAC2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol
SMILESCC(CO)CNc1nc(-c2cccnc2)nc2c1CCC2
InChIInChI=1S/C16H20N4O/c1-11(10-21)8-18-16-13-5-2-6-14(13)19-15(20-16)12-4-3-7-17-9-12/h3-4,7,9,11,21H,2,5-6,8,10H2,1H3,(H,18,19,20)
InChIKeyFPWPIVIBHKPCQY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.07
Rot. Bonds5

About 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol

2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol (PubChem CID 166225615) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol
PubChem CID166225615
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol
SMILESCC(CO)CNc1nc(-c2cccnc2)nc2c1CCC2
InChIInChI=1S/C16H20N4O/c1-11(10-21)8-18-16-13-5-2-6-14(13)19-15(20-16)12-4-3-7-17-9-12/h3-4,7,9,11,21H,2,5-6,8,10H2,1H3,(H,18,19,20)
InChIKeyFPWPIVIBHKPCQY-UHFFFAOYSA-N
XLogP2.07
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol with MolForge

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Related Compounds

Pyrithiamine bromide hydrobromide
CID 10802
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
CID 10803
Cgp-60474
CID 644215
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 12111409
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol
CID 12111411
Trans-4-{[2-(Butylamino)-5-(Pyridin-2-Yl)pyrimidin-4-Yl]amino}cyclohexanol
CID 71819732
2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792975
3-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 72793042
4-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 72793043
6-Methyl-N4-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 2725571
3-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}propan-1-ol
CID 24746381
4-[[2-(Butylamino)-5-[5-[(cyclohexylamino)methyl]-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792907

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol (CID 166225615) is 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol is CC(CO)CNc1nc(-c2cccnc2)nc2c1CCC2.
What is the InChIKey of 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is FPWPIVIBHKPCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(10-21)8-18-16-13-5-2-6-14(13)19-15(20-16)12-4-3-7-17-9-12/h3-4,7,9,11,21H,2,5-6,8,10H2,1H3,(H,18,19,20).
What are the key properties of 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol?
2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 284.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 166225615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).