4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile

C10H12N4 — CID 126979906

IUPAC4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile
SMILESCN(CC1CC1)c1ncncc1C#N
InChIInChI=1S/C10H12N4/c1-14(6-8-2-3-8)10-9(4-11)5-12-7-13-10/h5,7-8H,2-3,6H2,1H3
InChIKeyVQSBTMNIOMMIDZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.19
Rot. Bonds3

About 4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile

4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile (PubChem CID 126979906) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile
PubChem CID126979906
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile
SMILESCN(CC1CC1)c1ncncc1C#N
InChIInChI=1S/C10H12N4/c1-14(6-8-2-3-8)10-9(4-11)5-12-7-13-10/h5,7-8H,2-3,6H2,1H3
InChIKeyVQSBTMNIOMMIDZ-UHFFFAOYSA-N
XLogP1.19
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 115148973
3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 66320423
4-[cyclopropylmethyl(methyl)amino]-6,8-dimethylquinoline-3-carbonitrile
CID 133319158
3-[cyclohexylmethyl(methyl)amino]pyrazine-2-carbonitrile
CID 62685039
5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642624
N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine
CID 114216445
4-[cyclobutylmethyl(methyl)amino]quinoline-3-carbonitrile
CID 62861012
2-[methyl(oxolan-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 71862352
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 75511399
4-[cyclopropylmethyl(methyl)amino]-2,3-difluorobenzonitrile
CID 107933424
2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63656342
N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 114216347

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile (CID 126979906) is 4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile is CN(CC1CC1)c1ncncc1C#N.
What is the InChIKey of 4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile?
The InChIKey is VQSBTMNIOMMIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-14(6-8-2-3-8)10-9(4-11)5-12-7-13-10/h5,7-8H,2-3,6H2,1H3.
What are the key properties of 4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile?
4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(methyl)amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 126979906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).