6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile

C9H13N5 — CID 130551444

IUPAC6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile
SMILESCNC(C)CNc1cc(C#N)ncn1
InChIInChI=1S/C9H13N5/c1-7(11-2)5-12-9-3-8(4-10)13-6-14-9/h3,6-7,11H,5H2,1-2H3,(H,12,13,14)
InChIKeyPATPEQHNSPARIU-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.37
Rot. Bonds4

About 6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile

6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile (PubChem CID 130551444) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile
PubChem CID130551444
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile
SMILESCNC(C)CNc1cc(C#N)ncn1
InChIInChI=1S/C9H13N5/c1-7(11-2)5-12-9-3-8(4-10)13-6-14-9/h3,6-7,11H,5H2,1-2H3,(H,12,13,14)
InChIKeyPATPEQHNSPARIU-UHFFFAOYSA-N
XLogP0.37
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(methylamino)pyrimidine-4-carbonitrile
CID 22498876
6-(2-fluoroethylamino)pyrimidine-4-carbonitrile
CID 130478010
6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile
CID 130551438
6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile
CID 115143037
6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115142887
6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile
CID 130551187
6-[[(E)-4-aminobut-2-enyl]amino]pyrimidine-4-carbonitrile
CID 130551443
3-[(6-cyanopyrimidin-4-yl)amino]propanamide
CID 126973504
6-[[2-(4-bromophenyl)-2-methylpropyl]amino]pyrimidine-4-carbonitrile
CID 115143141
6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile
CID 115143093
6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile
CID 115143046
6-[(2-methoxy-4,6-dimethylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115142939

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile (CID 130551444) is 6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile is CNC(C)CNc1cc(C#N)ncn1.
What is the InChIKey of 6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile?
The InChIKey is PATPEQHNSPARIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-7(11-2)5-12-9-3-8(4-10)13-6-14-9/h3,6-7,11H,5H2,1-2H3,(H,12,13,14).
What are the key properties of 6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile?
6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile has a molecular weight of 191.24 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 130551444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).