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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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).