6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile

C14H21N5 — CID 136539750

IUPAC6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile
SMILESCCCN1CCC(CNc2nc(C)cc(C#N)n2)C1
InChIInChI=1S/C14H21N5/c1-3-5-19-6-4-12(10-19)9-16-14-17-11(2)7-13(8-15)18-14/h7,12H,3-6,9-10H2,1-2H3,(H,16,17,18)
InChIKeyQUPNQFJRAYDOID-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.80
Rot. Bonds5

About 6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile

6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile (PubChem CID 136539750) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile
PubChem CID136539750
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile
SMILESCCCN1CCC(CNc2nc(C)cc(C#N)n2)C1
InChIInChI=1S/C14H21N5/c1-3-5-19-6-4-12(10-19)9-16-14-17-11(2)7-13(8-15)18-14/h7,12H,3-6,9-10H2,1-2H3,(H,16,17,18)
InChIKeyQUPNQFJRAYDOID-UHFFFAOYSA-N
XLogP1.80
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107543760
4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 60856650
6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95146703
6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidine-4-carbonitrile
CID 107551946
2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-6-methylpyrimidine-4-carbonitrile
CID 122150193
5-propyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1,2,4-oxadiazol-3-amine
CID 125444437
4-N,4-N-dimethyl-2-N-[(1-propylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 84595614
6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543599
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
2-(2-cyclopropylpropylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545210
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 54939293
2-(hexan-3-ylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544278

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile (CID 136539750) is 6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile is CCCN1CCC(CNc2nc(C)cc(C#N)n2)C1.
What is the InChIKey of 6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile?
The InChIKey is QUPNQFJRAYDOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-5-19-6-4-12(10-19)9-16-14-17-11(2)7-13(8-15)18-14/h7,12H,3-6,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of 6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile?
6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 136539750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).