[3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol

C19H25N7O2 — CID 163268562

IUPAC[3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol
SMILESCOc1cc(NC2=NCC(n3cccn3)=C(NC3CCC(CO)C3)N2)ccn1
InChIInChI=1S/C19H25N7O2/c1-28-17-10-15(5-7-20-17)24-19-21-11-16(26-8-2-6-22-26)18(25-19)23-14-4-3-13(9-14)12-27/h2,5-8,10,13-14,23,27H,3-4,9,11-12H2,1H3,(H2,20,21,24,25)
InChIKeyYBXRQCRVEWYZDE-UHFFFAOYSA-N
MW383.46 g/mol
LogP1.23
Rot. Bonds6

About [3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol

[3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol (PubChem CID 163268562) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is [3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol
PubChem CID163268562
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name[3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol
SMILESCOc1cc(NC2=NCC(n3cccn3)=C(NC3CCC(CO)C3)N2)ccn1
InChIInChI=1S/C19H25N7O2/c1-28-17-10-15(5-7-20-17)24-19-21-11-16(26-8-2-6-22-26)18(25-19)23-14-4-3-13(9-14)12-27/h2,5-8,10,13-14,23,27H,3-4,9,11-12H2,1H3,(H2,20,21,24,25)
InChIKeyYBXRQCRVEWYZDE-UHFFFAOYSA-N
XLogP1.23
TPSA108.62 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze [3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol with MolForge

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Related Compounds

[3-[[5-(1,3-benzothiazol-2-yl)-2-[(2-methoxy-4-pyridinyl)amino]-4-pyridinyl]amino]cyclopentyl]methanol
CID 137448107
2-methoxy-N-(2-methylpiperidin-4-yl)pyridin-4-amine
CID 106996332
N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine
CID 114547998
[3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 112753377
N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline
CID 64501492
[(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 88566342
N-(3-ethylcyclohexyl)-6-methoxypyridin-2-amine
CID 64742812
N-[(1-aminocyclobutyl)methyl]-2-methoxypyridin-4-amine
CID 103354198
[3-[[5-(2,3-dihydro-1,3-benzothiazol-2-yl)-2-(methylamino)-4-pyridinyl]amino]cyclopentyl]methanol
CID 137448070
[4-[[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]cyclohexyl]methanol
CID 154816686
2-[cyclobutyl-(2-methoxy-4-pyridinyl)amino]ethanol
CID 102868917
N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120969454

Frequently Asked Questions

What is the IUPAC name of [3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol?
The IUPAC name of [3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol (CID 163268562) is [3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol is COc1cc(NC2=NCC(n3cccn3)=C(NC3CCC(CO)C3)N2)ccn1.
What is the InChIKey of [3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol?
The InChIKey is YBXRQCRVEWYZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-28-17-10-15(5-7-20-17)24-19-21-11-16(26-8-2-6-22-26)18(25-19)23-14-4-3-13(9-14)12-27/h2,5-8,10,13-14,23,27H,3-4,9,11-12H2,1H3,(H2,20,21,24,25).
What are the key properties of [3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol?
[3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol has a molecular weight of 383.46 g/mol, XLogP of 1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[(2-methoxy-4-pyridinyl)amino]-5-pyrazol-1-yl-1,4-dihydropyrimidin-6-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 163268562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).