6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile

C13H17N5 — CID 39347700

IUPAC6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
SMILESCN1CCN(c2nc(C#N)cc(C3CC3)n2)CC1
InChIInChI=1S/C13H17N5/c1-17-4-6-18(7-5-17)13-15-11(9-14)8-12(16-13)10-2-3-10/h8,10H,2-7H2,1H3
InChIKeyQXGULSOWDIFDLF-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.98
Rot. Bonds2

About 6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile

6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile (PubChem CID 39347700) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
PubChem CID39347700
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
SMILESCN1CCN(c2nc(C#N)cc(C3CC3)n2)CC1
InChIInChI=1S/C13H17N5/c1-17-4-6-18(7-5-17)13-15-11(9-14)8-12(16-13)10-2-3-10/h8,10H,2-7H2,1H3
InChIKeyQXGULSOWDIFDLF-UHFFFAOYSA-N
XLogP0.98
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 55188731
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
2-(4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39348452
6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107544516
2-[4-(cyanomethyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107543240
4-chloro-6-cyclopropyl-2-pyrrolidin-1-ylpyrimidine
CID 63355532
2-methyl-6-(oxan-4-yl)pyrimidine-4-carbonitrile
CID 116857963
5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 66302732
6-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552489
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107552935
2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39360440
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 159078071

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile (CID 39347700) is 6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile is CN1CCN(c2nc(C#N)cc(C3CC3)n2)CC1.
What is the InChIKey of 6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile?
The InChIKey is QXGULSOWDIFDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-17-4-6-18(7-5-17)13-15-11(9-14)8-12(16-13)10-2-3-10/h8,10H,2-7H2,1H3.
What are the key properties of 6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile?
6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 39347700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).