2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile

C7H8N4 — CID 84763072

IUPAC2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile
SMILESCc1ncc(N)c(CC#N)n1
InChIInChI=1S/C7H8N4/c1-5-10-4-6(9)7(11-5)2-3-8/h4H,2,9H2,1H3
InChIKeyRYANWPCLTAYIQV-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.43
Rot. Bonds1

About 2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile

2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile (PubChem CID 84763072) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile
PubChem CID84763072
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile
SMILESCc1ncc(N)c(CC#N)n1
InChIInChI=1S/C7H8N4/c1-5-10-4-6(9)7(11-5)2-3-8/h4H,2,9H2,1H3
InChIKeyRYANWPCLTAYIQV-UHFFFAOYSA-N
XLogP0.43
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-methylpyrimidin-4-yl)acetonitrile
CID 130644865
2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile
CID 84771568
2-(3-amino-5-methyl-2-pyridinyl)acetonitrile
CID 131170133
2-(5-aminopyrimidin-4-yl)acetonitrile
CID 84762390
4-[2-(1-aminocyclopropyl)ethyl]-2-methylpyrimidin-5-amine
CID 105446493
2-(2-methyl-4-propan-2-ylpyrimidin-5-yl)acetonitrile
CID 84766967
2-(3-amino-6-bromo-2-pyridinyl)acetonitrile
CID 131117863
2-(4-amino-5-methyl-2-pyridinyl)acetonitrile
CID 118851159
2-(5-amino-3-bromo-2-pyridinyl)acetonitrile
CID 131070766
2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 118834747
2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 130104808
2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 125129561

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile?
The IUPAC name of 2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile (CID 84763072) is 2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile?
The canonical SMILES for 2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile is Cc1ncc(N)c(CC#N)n1.
What is the InChIKey of 2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile?
The InChIKey is RYANWPCLTAYIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-5-10-4-6(9)7(11-5)2-3-8/h4H,2,9H2,1H3.
What are the key properties of 2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile?
2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile has a molecular weight of 148.17 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile is sourced from PubChem (CID 84763072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).