5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol

C16H22N4O — CID 106163239

IUPAC5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-12(11-21)6-5-9-18-15-10-14(17)19-16(20-15)13-7-3-2-4-8-13/h2-4,7-8,10,12,21H,5-6,9,11H2,1H3,(H3,17,18,19,20)
InChIKeyFPMQLZBBSAEVJE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.55
Rot. Bonds7

About 5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol

5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol (PubChem CID 106163239) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
PubChem CID106163239
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-12(11-21)6-5-9-18-15-10-14(17)19-16(20-15)13-7-3-2-4-8-13/h2-4,7-8,10,12,21H,5-6,9,11H2,1H3,(H3,17,18,19,20)
InChIKeyFPMQLZBBSAEVJE-UHFFFAOYSA-N
XLogP2.55
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine
CID 115916187
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
3-[2-[(6-amino-2-phenylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311691
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol
CID 112559838
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358096
5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162981
5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106163382
5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 104925080
5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858567
2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 115915460
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179314
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide
CID 112559814

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol (CID 106163239) is 5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol is CC(CO)CCCNc1cc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The InChIKey is FPMQLZBBSAEVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(11-21)6-5-9-18-15-10-14(17)19-16(20-15)13-7-3-2-4-8-13/h2-4,7-8,10,12,21H,5-6,9,11H2,1H3,(H3,17,18,19,20).
What are the key properties of 5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol?
5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106163239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).