1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid

C12H17N5O2 — CID 140866822

IUPAC1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
SMILESNc1nc(NC2CC2)cc(N2CCC(C(=O)O)C2)n1
InChIInChI=1S/C12H17N5O2/c13-12-15-9(14-8-1-2-8)5-10(16-12)17-4-3-7(6-17)11(18)19/h5,7-8H,1-4,6H2,(H,18,19)(H3,13,14,15,16)
InChIKeyHDSQKPGGPDXFSZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.54
Rot. Bonds4

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

1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid (PubChem CID 140866822) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
PubChem CID140866822
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
SMILESNc1nc(NC2CC2)cc(N2CCC(C(=O)O)C2)n1
InChIInChI=1S/C12H17N5O2/c13-12-15-9(14-8-1-2-8)5-10(16-12)17-4-3-7(6-17)11(18)19/h5,7-8H,1-4,6H2,(H,18,19)(H3,13,14,15,16)
InChIKeyHDSQKPGGPDXFSZ-UHFFFAOYSA-N
XLogP0.54
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid (CID 140866822) is 1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid is Nc1nc(NC2CC2)cc(N2CCC(C(=O)O)C2)n1.
What is the InChIKey of 1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is HDSQKPGGPDXFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-12-15-9(14-8-1-2-8)5-10(16-12)17-4-3-7(6-17)11(18)19/h5,7-8H,1-4,6H2,(H,18,19)(H3,13,14,15,16).
What are the key properties of 1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid?
1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 140866822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).