2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile

C10H15N5 — CID 107552672

IUPAC2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile
SMILESCNCC(C)CNc1nccc(C#N)n1
InChIInChI=1S/C10H15N5/c1-8(6-12-2)7-14-10-13-4-3-9(5-11)15-10/h3-4,8,12H,6-7H2,1-2H3,(H,13,14,15)
InChIKeyBYPXRIFQZZNMCP-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.62
Rot. Bonds5

About 2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile

2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile (PubChem CID 107552672) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile
PubChem CID107552672
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile
SMILESCNCC(C)CNc1nccc(C#N)n1
InChIInChI=1S/C10H15N5/c1-8(6-12-2)7-14-10-13-4-3-9(5-11)15-10/h3-4,8,12H,6-7H2,1-2H3,(H,13,14,15)
InChIKeyBYPXRIFQZZNMCP-UHFFFAOYSA-N
XLogP0.62
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile
CID 107544433
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyrimidine-4-carbonitrile
CID 107552093
2-[(5-hydroxy-4-methylpentyl)amino]pyrimidine-4-carbonitrile
CID 106158675
2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile
CID 115302962
2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545205
2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
CID 107544542
4-[(4-cyanopyrimidin-2-yl)amino]-3-methoxybutanoic acid
CID 107543201
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275
2-[3-(2-methylpropoxy)propylamino]pyrimidine-4-carbonitrile
CID 114097995
2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
CID 107545274
2-(1,3-benzothiazol-2-yl)-2-[2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidin-4-yl]acetonitrile
CID 11462309

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile (CID 107552672) is 2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile is CNCC(C)CNc1nccc(C#N)n1.
What is the InChIKey of 2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile?
The InChIKey is BYPXRIFQZZNMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-8(6-12-2)7-14-10-13-4-3-9(5-11)15-10/h3-4,8,12H,6-7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile?
2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).