4-(2-aminopropylamino)pyrimidine-2-carbonitrile

C8H11N5 — CID 130587580

IUPAC4-(2-aminopropylamino)pyrimidine-2-carbonitrile
SMILESCC(N)CNc1ccnc(C#N)n1
InChIInChI=1S/C8H11N5/c1-6(10)5-12-7-2-3-11-8(4-9)13-7/h2-3,6H,5,10H2,1H3,(H,11,12,13)
InChIKeyCTTOKVNLPCGVPP-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.11
Rot. Bonds3

About 4-(2-aminopropylamino)pyrimidine-2-carbonitrile

4-(2-aminopropylamino)pyrimidine-2-carbonitrile (PubChem CID 130587580) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-(2-aminopropylamino)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-aminopropylamino)pyrimidine-2-carbonitrile
PubChem CID130587580
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name4-(2-aminopropylamino)pyrimidine-2-carbonitrile
SMILESCC(N)CNc1ccnc(C#N)n1
InChIInChI=1S/C8H11N5/c1-6(10)5-12-7-2-3-11-8(4-9)13-7/h2-3,6H,5,10H2,1H3,(H,11,12,13)
InChIKeyCTTOKVNLPCGVPP-UHFFFAOYSA-N
XLogP0.11
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile
CID 130587444
1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane
CID 145372300
3-(2-aminopropylamino)pyrazine-2-carbonitrile
CID 63731086
(2R)-1-N-pyridin-2-ylpropane-1,2-diamine
CID 71346823
6-(2-aminopropylamino)pyridazine-4-carbonitrile
CID 131000566
4-[(3-aminocyclobutyl)amino]pyrimidine-2-carbonitrile
CID 130587566
2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile
CID 91320280
1-N-(2-methylpyrimidin-4-yl)butane-1,3-diamine
CID 63251627
4-(2-methylpropylamino)pyrimidin-2-olate
CID 171083586
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
6-(2-aminopropylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 103341130

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropylamino)pyrimidine-2-carbonitrile?
The IUPAC name of 4-(2-aminopropylamino)pyrimidine-2-carbonitrile (CID 130587580) is 4-(2-aminopropylamino)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(2-aminopropylamino)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-(2-aminopropylamino)pyrimidine-2-carbonitrile is CC(N)CNc1ccnc(C#N)n1.
What is the InChIKey of 4-(2-aminopropylamino)pyrimidine-2-carbonitrile?
The InChIKey is CTTOKVNLPCGVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-6(10)5-12-7-2-3-11-8(4-9)13-7/h2-3,6H,5,10H2,1H3,(H,11,12,13).
What are the key properties of 4-(2-aminopropylamino)pyrimidine-2-carbonitrile?
4-(2-aminopropylamino)pyrimidine-2-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropylamino)pyrimidine-2-carbonitrile is sourced from PubChem (CID 130587580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).