2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile

C11H16N4O — CID 107545273

IUPAC2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile
SMILESCCC(O)CCNc1nc(C)cc(C#N)n1
InChIInChI=1S/C11H16N4O/c1-3-10(16)4-5-13-11-14-8(2)6-9(7-12)15-11/h6,10,16H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyPPTKRDBXEQCMTP-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.23
Rot. Bonds5

About 2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile

2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile (PubChem CID 107545273) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile
PubChem CID107545273
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile
SMILESCCC(O)CCNc1nc(C)cc(C#N)n1
InChIInChI=1S/C11H16N4O/c1-3-10(16)4-5-13-11-14-8(2)6-9(7-12)15-11/h6,10,16H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyPPTKRDBXEQCMTP-UHFFFAOYSA-N
XLogP1.23
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
CID 107545274
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383441
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile
CID 106115688
6-methyl-2-(2-methylsulfinylethylamino)pyrimidine-4-carbonitrile
CID 107545228
2-(3-methoxypropylamino)-6-methylpyrimidine-4-carbonitrile
CID 110383439
2-(hexan-3-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544278
2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383464
6-methyl-2-(3-propoxypropylamino)pyrimidine-4-carbonitrile
CID 107545023
2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383463
6-methyl-2-(3-methylsulfinylpropylamino)pyrimidine-4-carbonitrile
CID 107545250

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile (CID 107545273) is 2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile is CCC(O)CCNc1nc(C)cc(C#N)n1.
What is the InChIKey of 2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile?
The InChIKey is PPTKRDBXEQCMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-10(16)4-5-13-11-14-8(2)6-9(7-12)15-11/h6,10,16H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile?
2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107545273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).