4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol

C22H25N5O — CID 72793110

IUPAC4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(NCc3ccccc3)ncc2-c2ccccn2)CC1
InChIInChI=1S/C22H25N5O/c28-18-11-9-17(10-12-18)26-21-19(20-8-4-5-13-23-20)15-25-22(27-21)24-14-16-6-2-1-3-7-16/h1-8,13,15,17-18,28H,9-12,14H2,(H2,24,25,26,27)
InChIKeyOVPGPUIOPKYMQR-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.87
Rot. Bonds6

About 4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 72793110) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID72793110
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(NCc3ccccc3)ncc2-c2ccccn2)CC1
InChIInChI=1S/C22H25N5O/c28-18-11-9-17(10-12-18)26-21-19(20-8-4-5-13-23-20)15-25-22(27-21)24-14-16-6-2-1-3-7-16/h1-8,13,15,17-18,28H,9-12,14H2,(H2,24,25,26,27)
InChIKeyOVPGPUIOPKYMQR-UHFFFAOYSA-N
XLogP3.87
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

Slv320
CID 9953065
Pyrithiamine bromide hydrobromide
CID 10802
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
CID 10803
Cgp-60474
CID 644215
trans-4-(2-(Butylamino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexanol
CID 73425588
4-[5-(2-Azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol
CID 22464120
Trans-4-{[4-(1h-Indazol-1-Yl)pyrimidin-2-Yl]amino}cyclohexanol
CID 24957306
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
4-[[2-(Butylamino)-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792564

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (CID 72793110) is 4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(NCc3ccccc3)ncc2-c2ccccn2)CC1.
What is the InChIKey of 4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is OVPGPUIOPKYMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c28-18-11-9-17(10-12-18)26-21-19(20-8-4-5-13-23-20)15-25-22(27-21)24-14-16-6-2-1-3-7-16/h1-8,13,15,17-18,28H,9-12,14H2,(H2,24,25,26,27).
What are the key properties of 4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 375.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(benzylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 72793110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).