3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol

C16H22N4O — CID 106358096

IUPAC3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-11(2)13(8-9-21)18-15-10-14(17)19-16(20-15)12-6-4-3-5-7-12/h3-7,10-11,13,21H,8-9H2,1-2H3,(H3,17,18,19,20)
InChIKeyBWIPIJUOHZZDQH-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.54
Rot. Bonds6

About 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol

3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 106358096) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID106358096
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-11(2)13(8-9-21)18-15-10-14(17)19-16(20-15)12-6-4-3-5-7-12/h3-7,10-11,13,21H,8-9H2,1-2H3,(H3,17,18,19,20)
InChIKeyBWIPIJUOHZZDQH-UHFFFAOYSA-N
XLogP2.54
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol
CID 112559838
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide
CID 112559814
5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163239
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol
CID 113242419
3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106348219
4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol
CID 115914889
3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 103703947
4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 106332100
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179314
3-[2-[(6-amino-2-phenylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311691
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352561

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol (CID 106358096) is 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is CC(C)C(CCO)Nc1cc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is BWIPIJUOHZZDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)13(8-9-21)18-15-10-14(17)19-16(20-15)12-6-4-3-5-7-12/h3-7,10-11,13,21H,8-9H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol?
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106358096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).