2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile

C11H14N6 — CID 80956167

IUPAC2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
SMILESCC(C)c1nc(N)cc(N(CC#N)CC#N)n1
InChIInChI=1S/C11H14N6/c1-8(2)11-15-9(14)7-10(16-11)17(5-3-12)6-4-13/h7-8H,5-6H2,1-2H3,(H2,14,15,16)
InChIKeyFKRJTKCGAJDTMR-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.04
Rot. Bonds4

About 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile

2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile (PubChem CID 80956167) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
PubChem CID80956167
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
SMILESCC(C)c1nc(N)cc(N(CC#N)CC#N)n1
InChIInChI=1S/C11H14N6/c1-8(2)11-15-9(14)7-10(16-11)17(5-3-12)6-4-13/h7-8H,5-6H2,1-2H3,(H2,14,15,16)
InChIKeyFKRJTKCGAJDTMR-UHFFFAOYSA-N
XLogP1.04
TPSA102.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80933068
4-N-ethyl-4-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967666
4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957937
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
CID 106769899
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102998858
2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 115915164
4-N-methyl-2-propan-2-yl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80968110
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80958659
4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965607
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80961040
4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958034
4-N-cyclopropyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961650

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
The IUPAC name of 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile (CID 80956167) is 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile.
What is the SMILES notation for 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
The canonical SMILES for 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile is CC(C)c1nc(N)cc(N(CC#N)CC#N)n1.
What is the InChIKey of 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
The InChIKey is FKRJTKCGAJDTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-8(2)11-15-9(14)7-10(16-11)17(5-3-12)6-4-13/h7-8H,5-6H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile has a molecular weight of 230.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile is sourced from PubChem (CID 80956167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).