4-amino-2-cyclopropylpyrimidine-5-carbonitrile

C8H8N4 — CID 45122224

IUPAC4-amino-2-cyclopropylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(C2CC2)nc1N
InChIInChI=1S/C8H8N4/c9-3-6-4-11-8(5-1-2-5)12-7(6)10/h4-5H,1-2H2,(H2,10,11,12)
InChIKeyIQZSBEYDPXQSNV-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.81
Rot. Bonds1

About 4-amino-2-cyclopropylpyrimidine-5-carbonitrile

4-amino-2-cyclopropylpyrimidine-5-carbonitrile (PubChem CID 45122224) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-amino-2-cyclopropylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-cyclopropylpyrimidine-5-carbonitrile
PubChem CID45122224
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name4-amino-2-cyclopropylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(C2CC2)nc1N
InChIInChI=1S/C8H8N4/c9-3-6-4-11-8(5-1-2-5)12-7(6)10/h4-5H,1-2H2,(H2,10,11,12)
InChIKeyIQZSBEYDPXQSNV-UHFFFAOYSA-N
XLogP0.81
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
4-Amino-2-methylpyrimidine-5-carbonitrile
CID 69682
2,5-Dimethylpyrimidin-4-Amine
CID 445779
4-Amino-5-pyrimidinecarbonitrile
CID 737208
2,4-Diaminopyrimidine-5-carbonitrile
CID 282115
4-N-(2,2-dimethylpropyl)-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80818780
4-Amino-2-(diethylamino)-5-pyrimidinecarbonitrile
CID 2816412
4-Amino-2-chloropyrimidine-5-carbonitrile
CID 2801166
4-Amino-2-methoxypyrimidine-5-carbonitrile
CID 248964
2-Aminopyrimidine-5-carbonitrile
CID 3814492
Aminomethylpyrimidine
CID 6946837
4-Amino-2-(heptafluoropropyl)pyrimidine-5-carbonitrile
CID 86614626

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopropylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-cyclopropylpyrimidine-5-carbonitrile (CID 45122224) is 4-amino-2-cyclopropylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-cyclopropylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-cyclopropylpyrimidine-5-carbonitrile is N#Cc1cnc(C2CC2)nc1N.
What is the InChIKey of 4-amino-2-cyclopropylpyrimidine-5-carbonitrile?
The InChIKey is IQZSBEYDPXQSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-3-6-4-11-8(5-1-2-5)12-7(6)10/h4-5H,1-2H2,(H2,10,11,12).
What are the key properties of 4-amino-2-cyclopropylpyrimidine-5-carbonitrile?
4-amino-2-cyclopropylpyrimidine-5-carbonitrile has a molecular weight of 160.18 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopropylpyrimidine-5-carbonitrile is sourced from PubChem (CID 45122224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).