(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide

C12H18N6O — CID 122456347

IUPAC(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(c2cc(NC3CC3)nc(N)n2)C1
InChIInChI=1S/C12H18N6O/c13-11(19)7-3-4-18(6-7)10-5-9(15-8-1-2-8)16-12(14)17-10/h5,7-8H,1-4,6H2,(H2,13,19)(H3,14,15,16,17)/t7-/m1/s1
InChIKeyROBYQHUVFFPYEU-SSDOTTSWSA-N
MW262.32 g/mol
LogP-0.06
Rot. Bonds4

About (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide

(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 122456347) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID122456347
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(c2cc(NC3CC3)nc(N)n2)C1
InChIInChI=1S/C12H18N6O/c13-11(19)7-3-4-18(6-7)10-5-9(15-8-1-2-8)16-12(14)17-10/h5,7-8H,1-4,6H2,(H2,13,19)(H3,14,15,16,17)/t7-/m1/s1
InChIKeyROBYQHUVFFPYEU-SSDOTTSWSA-N
XLogP-0.06
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 122456358
1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 80756026
4-N-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 122491269
1-[2-amino-6-(butylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048402
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(2-methylcyclopropyl)pyrimidine-2,4-diamine
CID 24745834
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 178108022
1-(6-hydrazinyl-2-methylpyrimidin-4-yl)piperidine-4-carboxamide
CID 80917008
N-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 113402704
6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 68551068
1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 114082384
1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
CID 117008210

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide (CID 122456347) is (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide is NC(=O)[C@@H]1CCN(c2cc(NC3CC3)nc(N)n2)C1.
What is the InChIKey of (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is ROBYQHUVFFPYEU-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H18N6O/c13-11(19)7-3-4-18(6-7)10-5-9(15-8-1-2-8)16-12(14)17-10/h5,7-8H,1-4,6H2,(H2,13,19)(H3,14,15,16,17)/t7-/m1/s1.
What are the key properties of (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 262.32 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 122456347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).