3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile

C13H16N4O — CID 136972967

IUPAC3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile
SMILESN#CCCN(c1cc(=O)[nH]c(C2CC2)n1)C1CC1
InChIInChI=1S/C13H16N4O/c14-6-1-7-17(10-4-5-10)11-8-12(18)16-13(15-11)9-2-3-9/h8-10H,1-5,7H2,(H,15,16,18)
InChIKeyFIXWMGAKENUNHY-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.53
Rot. Bonds5

About 3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile

3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile (PubChem CID 136972967) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile
PubChem CID136972967
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile
SMILESN#CCCN(c1cc(=O)[nH]c(C2CC2)n1)C1CC1
InChIInChI=1S/C13H16N4O/c14-6-1-7-17(10-4-5-10)11-8-12(18)16-13(15-11)9-2-3-9/h8-10H,1-5,7H2,(H,15,16,18)
InChIKeyFIXWMGAKENUNHY-UHFFFAOYSA-N
XLogP1.53
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile
CID 136972973
2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978098
4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137009734
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 137007673
2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766326
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007497
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80545373
3-[cyclopropyl-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanenitrile
CID 80810314
2-cyclopropyl-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136989571
3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile
CID 79825815
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid
CID 136958564
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 137009112

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile (CID 136972967) is 3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile is N#CCCN(c1cc(=O)[nH]c(C2CC2)n1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile?
The InChIKey is FIXWMGAKENUNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-6-1-7-17(10-4-5-10)11-8-12(18)16-13(15-11)9-2-3-9/h8-10H,1-5,7H2,(H,15,16,18).
What are the key properties of 3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile?
3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile has a molecular weight of 244.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile is sourced from PubChem (CID 136972967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).