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

C22H25N5O2 — CID 162790413

IUPAC2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
SMILESOCC1C(O)CC(NCc2cccnc2)C1Cc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C22H25N5O2/c28-14-19-18(20(10-21(19)29)26-12-15-3-1-6-23-11-15)9-17-5-8-25-22(27-17)16-4-2-7-24-13-16/h1-8,11,13,18-21,26,28-29H,9-10,12,14H2
InChIKeyVVRZDHNBODOUJF-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.62
Rot. Bonds7

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

2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol (PubChem CID 162790413) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
PubChem CID162790413
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
SMILESOCC1C(O)CC(NCc2cccnc2)C1Cc1ccnc(-c2cccnc2)n1
InChIInChI=1S/C22H25N5O2/c28-14-19-18(20(10-21(19)29)26-12-15-3-1-6-23-11-15)9-17-5-8-25-22(27-17)16-4-2-7-24-13-16/h1-8,11,13,18-21,26,28-29H,9-10,12,14H2
InChIKeyVVRZDHNBODOUJF-UHFFFAOYSA-N
XLogP1.62
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[(3-chlorophenyl)methylamino]-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 162790708
4-(2,2-dimethylpropylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 163031054
4-(cyclohexylmethylamino)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 162898305
[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol
CID 111440219
N-(pyridin-3-ylmethyl)-N-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 46955768
4-(3,3-dimethylbutylamino)-2-(hydroxymethyl)-3-[(2-methylpyrimidin-4-yl)methyl]cyclopentan-1-ol
CID 163039429
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol
CID 154803272
N-[(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 114245322
2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 46172986

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol (CID 162790413) is 2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol is OCC1C(O)CC(NCc2cccnc2)C1Cc1ccnc(-c2cccnc2)n1.
What is the InChIKey of 2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
The InChIKey is VVRZDHNBODOUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-14-19-18(20(10-21(19)29)26-12-15-3-1-6-23-11-15)9-17-5-8-25-22(27-17)16-4-2-7-24-13-16/h1-8,11,13,18-21,26,28-29H,9-10,12,14H2.
What are the key properties of 2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol?
2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol has a molecular weight of 391.48 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-(pyridin-3-ylmethylamino)-3-[(2-pyridin-3-ylpyrimidin-4-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 162790413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).