6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile

C15H23N5 — CID 107552637

IUPAC6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
SMILESCCCN(CC1CCNCC1)c1nc(C)cc(C#N)n1
InChIInChI=1S/C15H23N5/c1-3-8-20(11-13-4-6-17-7-5-13)15-18-12(2)9-14(10-16)19-15/h9,13,17H,3-8,11H2,1-2H3
InChIKeyVQSIFKYQCJJJLF-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.87
Rot. Bonds5

About 6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile

6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107552637) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
PubChem CID107552637
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
SMILESCCCN(CC1CCNCC1)c1nc(C)cc(C#N)n1
InChIInChI=1S/C15H23N5/c1-3-8-20(11-13-4-6-17-7-5-13)15-18-12(2)9-14(10-16)19-15/h9,13,17H,3-8,11H2,1-2H3
InChIKeyVQSIFKYQCJJJLF-UHFFFAOYSA-N
XLogP1.87
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552634
6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107552639
4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 115973542
2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552777
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543618
2-[ethyl(piperidin-4-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
CID 114770166
2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544097
2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552802
2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide
CID 107546828
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719331
2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544983
2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543890

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile (CID 107552637) is 6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile is CCCN(CC1CCNCC1)c1nc(C)cc(C#N)n1.
What is the InChIKey of 6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is VQSIFKYQCJJJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-8-20(11-13-4-6-17-7-5-13)15-18-12(2)9-14(10-16)19-15/h9,13,17H,3-8,11H2,1-2H3.
What are the key properties of 6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile?
6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).