6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile

C8H11N5 — CID 130551438

IUPAC6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile
SMILESCC(CN)Nc1cc(C#N)ncn1
InChIInChI=1S/C8H11N5/c1-6(3-9)13-8-2-7(4-10)11-5-12-8/h2,5-6H,3,9H2,1H3,(H,11,12,13)
InChIKeyFZHZKHHBBRTNIP-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.11
Rot. Bonds3

About 6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile

6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile (PubChem CID 130551438) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile
PubChem CID130551438
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile
SMILESCC(CN)Nc1cc(C#N)ncn1
InChIInChI=1S/C8H11N5/c1-6(3-9)13-8-2-7(4-10)11-5-12-8/h2,5-6H,3,9H2,1H3,(H,11,12,13)
InChIKeyFZHZKHHBBRTNIP-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

6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile
CID 130551444
6-(methylamino)pyrimidine-4-carbonitrile
CID 22498876
4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115263744
6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile
CID 130551187
6-(2-fluoroethylamino)pyrimidine-4-carbonitrile
CID 130478010
6-[[(E)-4-aminobut-2-enyl]amino]pyrimidine-4-carbonitrile
CID 130551443
6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115142887
6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile
CID 115143037
2-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
CID 80906308
4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine
CID 115263775
3-[(6-cyanopyrimidin-4-yl)amino]propanamide
CID 126973504
6-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80932214

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile?
The IUPAC name of 6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile (CID 130551438) is 6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile is CC(CN)Nc1cc(C#N)ncn1.
What is the InChIKey of 6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile?
The InChIKey is FZHZKHHBBRTNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-6(3-9)13-8-2-7(4-10)11-5-12-8/h2,5-6H,3,9H2,1H3,(H,11,12,13).
What are the key properties of 6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile?
6-(1-aminopropan-2-ylamino)pyrimidine-4-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 6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 130551438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).