2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile

C10H14N4 — CID 84771568

IUPAC2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile
SMILESCC(C)(C)c1ncc(N)c(CC#N)n1
InChIInChI=1S/C10H14N4/c1-10(2,3)9-13-6-7(12)8(14-9)4-5-11/h6H,4,12H2,1-3H3
InChIKeyMCVMHMBYMDFANK-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.42
Rot. Bonds1

About 2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile

2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile (PubChem CID 84771568) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile
PubChem CID84771568
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile
SMILESCC(C)(C)c1ncc(N)c(CC#N)n1
InChIInChI=1S/C10H14N4/c1-10(2,3)9-13-6-7(12)8(14-9)4-5-11/h6H,4,12H2,1-3H3
InChIKeyMCVMHMBYMDFANK-UHFFFAOYSA-N
XLogP1.42
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile
CID 84763072
2-(5-aminopyrimidin-4-yl)acetonitrile
CID 84762390
2-(3-amino-5-methyl-2-pyridinyl)acetonitrile
CID 131170133
2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine
CID 130483737
2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 125129561
2-(3-amino-6-bromo-2-pyridinyl)acetonitrile
CID 131117863
2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 130104808
2-(4-amino-2-methylsulfanylpyrimidin-5-yl)acetonitrile
CID 84768192
2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile
CID 82414888
2-(4-amino-5-methyl-2-pyridinyl)acetonitrile
CID 118851159
2-(2-tert-butyl-5-hydroxypyrimidin-4-yl)acetic acid
CID 83884952
1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one
CID 167657259

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile?
The IUPAC name of 2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile (CID 84771568) is 2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile?
The canonical SMILES for 2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile is CC(C)(C)c1ncc(N)c(CC#N)n1.
What is the InChIKey of 2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile?
The InChIKey is MCVMHMBYMDFANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-10(2,3)9-13-6-7(12)8(14-9)4-5-11/h6H,4,12H2,1-3H3.
What are the key properties of 2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile?
2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.42, 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-tert-butylpyrimidin-4-yl)acetonitrile is sourced from PubChem (CID 84771568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).