4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol

C21H30N4O2 — CID 163031054

IUPAC4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
SMILESCC(C)(C)CNC1CC(O)C(CO)C1Cc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C21H30N4O2/c1-21(2,3)13-24-18-10-19(27)17(12-26)16(18)9-15-6-8-23-20(25-15)14-5-4-7-22-11-14/h4-8,11,16-19,24,26-27H,9-10,12-13H2,1-3H3
InChIKeyAIGZESIAVXHCJQ-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.07
Rot. Bonds6

About 4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol

4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol (PubChem CID 163031054) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
PubChem CID163031054
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
SMILESCC(C)(C)CNC1CC(O)C(CO)C1Cc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C21H30N4O2/c1-21(2,3)13-24-18-10-19(27)17(12-26)16(18)9-15-6-8-23-20(25-15)14-5-4-7-22-11-14/h4-8,11,16-19,24,26-27H,9-10,12-13H2,1-3H3
InChIKeyAIGZESIAVXHCJQ-UHFFFAOYSA-N
XLogP2.07
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol with MolForge

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Related Compounds

2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 162790413
4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 162898305
4-[(3-chlorophenyl)methylamino]-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 162790708
4-(3,3-dimethylbutylamino)-2-(hydroxymethyl)-3-[(2-methylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 163039429
4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[[2-(2-methoxyethyl)pyrimidin-4-yl]methyl]cyclopentan-1-ol
CID 162798804
N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 46955768
N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 114245322
tert-butyl N-(2-pyridin-3-ylpyrimidin-4-yl)carbamate
CID 175481967
N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 44820593
4-[(4-ethylpiperazin-1-yl)methyl]-2-pyridin-3-ylpyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 118747387
2-cyclopropyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133367313
4-(2-pyridin-3-ylpyrimidin-4-yl)phenol
CID 141472671

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol (CID 163031054) is 4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol is CC(C)(C)CNC1CC(O)C(CO)C1Cc1ccnc(-c2cccnc2)n1.
What is the InChIKey of 4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
The InChIKey is AIGZESIAVXHCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-21(2,3)13-24-18-10-19(27)17(12-26)16(18)9-15-6-8-23-20(25-15)14-5-4-7-22-11-14/h4-8,11,16-19,24,26-27H,9-10,12-13H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol has a molecular weight of 370.50 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 163031054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).