1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide

C12H17N5O — CID 80956973

IUPAC1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C12H17N5O/c13-9-6-10(16-12(15-9)7-3-4-7)17-5-1-2-8(17)11(14)18/h6-8H,1-5H2,(H2,14,18)(H2,13,15,16)
InChIKeyDJIPJAMRETUSEH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.39
Rot. Bonds3

About 1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide

1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 80956973) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID80956973
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C12H17N5O/c13-9-6-10(16-12(15-9)7-3-4-7)17-5-1-2-8(17)11(14)18/h6-8H,1-5H2,(H2,14,18)(H2,13,15,16)
InChIKeyDJIPJAMRETUSEH-UHFFFAOYSA-N
XLogP0.39
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-amino-2-cyclopropylpyrimidin-4-yl)morpholine-3-carboxamide
CID 83106114
2-cyclopropyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80959966
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine
CID 102729187
2-cyclopropyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80968033
[1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640662
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropylpyrimidin-4-amine
CID 80961930
1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80904574
1-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422009
1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 54592642
5-amino-2-(2-carbamoylpiperidin-1-yl)pyridine-4-carboxamide
CID 114090230
1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80937172
1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806613

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 80956973) is 1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is DJIPJAMRETUSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c13-9-6-10(16-12(15-9)7-3-4-7)17-5-1-2-8(17)11(14)18/h6-8H,1-5H2,(H2,14,18)(H2,13,15,16).
What are the key properties of 1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide?
1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-cyclopropylpyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 80956973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).