2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile

C6H5ClN4 — CID 15925928

IUPAC2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile
SMILESN#CCc1cc(Cl)nc(N)n1
InChIInChI=1S/C6H5ClN4/c7-5-3-4(1-2-8)10-6(9)11-5/h3H,1H2,(H2,9,10,11)
InChIKeyBERUBXSMCQHWJR-UHFFFAOYSA-N
MW168.59 g/mol
LogP0.78
Rot. Bonds1

About 2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile

2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile (PubChem CID 15925928) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile
PubChem CID15925928
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile
SMILESN#CCc1cc(Cl)nc(N)n1
InChIInChI=1S/C6H5ClN4/c7-5-3-4(1-2-8)10-6(9)11-5/h3H,1H2,(H2,9,10,11)
InChIKeyBERUBXSMCQHWJR-UHFFFAOYSA-N
XLogP0.78
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.59
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile
CID 131049356
4-(2-aminoethyl)-6-chloropyrimidin-2-amine
CID 83851850
4-chloro-6-[(2,6-dichlorophenyl)methyl]pyrimidin-2-amine
CID 22398445
4-chloro-6-(pyrrolidin-1-ylmethyl)pyrimidin-2-amine
CID 105466429
2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130107470
4-chloro-6-(morpholin-4-ylmethyl)pyrimidin-2-amine
CID 105486071
3-[(2-amino-6-chloropyrimidin-4-yl)-propan-2-ylamino]propanenitrile
CID 80735514
2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118815641
2-(6-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)acetonitrile
CID 82531060
2-(7-chloro-4-methylquinolin-2-yl)acetonitrile
CID 84622518
2-[5-amino-6-(3,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094408
2-(4,6-dichloropyridazin-3-yl)acetonitrile
CID 59851337

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile?
The IUPAC name of 2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile (CID 15925928) is 2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile?
The canonical SMILES for 2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile is N#CCc1cc(Cl)nc(N)n1.
What is the InChIKey of 2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile?
The InChIKey is BERUBXSMCQHWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c7-5-3-4(1-2-8)10-6(9)11-5/h3H,1H2,(H2,9,10,11).
What are the key properties of 2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile?
2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile has a molecular weight of 168.59 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile is sourced from PubChem (CID 15925928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).