2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile

C13H19N5 — CID 107552774

IUPAC2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
SMILESCCCN(CC1CCCN1)c1nccc(C#N)n1
InChIInChI=1S/C13H19N5/c1-2-8-18(10-12-4-3-6-15-12)13-16-7-5-11(9-14)17-13/h5,7,12,15H,2-4,6,8,10H2,1H3
InChIKeyBOTJVPVVWJEVGB-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.32
Rot. Bonds5

About 2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile

2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107552774) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
PubChem CID107552774
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
SMILESCCCN(CC1CCCN1)c1nccc(C#N)n1
InChIInChI=1S/C13H19N5/c1-2-8-18(10-12-4-3-6-15-12)13-16-7-5-11(9-14)17-13/h5,7,12,15H,2-4,6,8,10H2,1H3
InChIKeyBOTJVPVVWJEVGB-UHFFFAOYSA-N
XLogP1.32
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552802
2-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107552788
5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile
CID 106642589
2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552777
N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
CID 106619613
5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106619532
3,5-difluoro-4-[propyl(pyrrolidin-2-ylmethyl)amino]benzonitrile
CID 106619820
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-4-methylpyridine-3-carbonitrile
CID 106619252
2-[ethyl(piperidin-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552798
4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 106616666
3-chloro-4-[propyl(pyrrolidin-2-ylmethyl)amino]benzonitrile
CID 106619552
N-propyl-N-(pyrrolidin-2-ylmethyl)pyrido[2,3-b]pyrazin-6-amine
CID 106619672

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile (CID 107552774) is 2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile is CCCN(CC1CCCN1)c1nccc(C#N)n1.
What is the InChIKey of 2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is BOTJVPVVWJEVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-8-18(10-12-4-3-6-15-12)13-16-7-5-11(9-14)17-13/h5,7,12,15H,2-4,6,8,10H2,1H3.
What are the key properties of 2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile?
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).