2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide

C10H15N5O — CID 175897249

IUPAC2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
SMILESCNC1CCN(c2ncc(C(N)=O)cn2)C1
InChIInChI=1S/C10H15N5O/c1-12-8-2-3-15(6-8)10-13-4-7(5-14-10)9(11)16/h4-5,8,12H,2-3,6H2,1H3,(H2,11,16)
InChIKeyIKAOGZRJZBMGKK-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.63
Rot. Bonds3

About 2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide

2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 175897249) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
PubChem CID175897249
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
SMILESCNC1CCN(c2ncc(C(N)=O)cn2)C1
InChIInChI=1S/C10H15N5O/c1-12-8-2-3-15(6-8)10-13-4-7(5-14-10)9(11)16/h4-5,8,12H,2-3,6H2,1H3,(H2,11,16)
InChIKeyIKAOGZRJZBMGKK-UHFFFAOYSA-N
XLogP-0.63
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 175889178
ethyl 2-[4-(methylamino)piperidin-1-yl]pyrimidine-5-carboxylate
CID 142804810
3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide
CID 115300934
3-bromo-4-[3-(methylamino)pyrrolidin-1-yl]benzamide
CID 82809979
N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 116976754
1-(5-ethylpyrimidin-2-yl)-N-methylpiperidin-3-amine
CID 116976178
N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine
CID 62546025
4-amino-2-[(3S)-3-(3-sulfanylpropanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 134820921
methyl N-[(3S)-1-[5-[(2-aminophenyl)carbamoyl]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate
CID 140529230
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 175895695
5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride
CID 119493800

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide (CID 175897249) is 2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide is CNC1CCN(c2ncc(C(N)=O)cn2)C1.
What is the InChIKey of 2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is IKAOGZRJZBMGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-12-8-2-3-15(6-8)10-13-4-7(5-14-10)9(11)16/h4-5,8,12H,2-3,6H2,1H3,(H2,11,16).
What are the key properties of 2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide?
2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 221.26 g/mol, XLogP of -0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 175897249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).