2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid

C13H19N5O2 — CID 122491275

IUPAC2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid
SMILESNc1nc(NC2CC2)cc(N2CCCC2CC(=O)O)n1
InChIInChI=1S/C13H19N5O2/c14-13-16-10(15-8-3-4-8)7-11(17-13)18-5-1-2-9(18)6-12(19)20/h7-9H,1-6H2,(H,19,20)(H3,14,15,16,17)
InChIKeySSXIEQNRHWGWSS-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.08
Rot. Bonds5

About 2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid

2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid (PubChem CID 122491275) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid
PubChem CID122491275
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid
SMILESNc1nc(NC2CC2)cc(N2CCCC2CC(=O)O)n1
InChIInChI=1S/C13H19N5O2/c14-13-16-10(15-8-3-4-8)7-11(17-13)18-5-1-2-9(18)6-12(19)20/h7-9H,1-6H2,(H,19,20)(H3,14,15,16,17)
InChIKeySSXIEQNRHWGWSS-UHFFFAOYSA-N
XLogP1.08
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid (CID 122491275) is 2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid is Nc1nc(NC2CC2)cc(N2CCCC2CC(=O)O)n1.
What is the InChIKey of 2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid?
The InChIKey is SSXIEQNRHWGWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c14-13-16-10(15-8-3-4-8)7-11(17-13)18-5-1-2-9(18)6-12(19)20/h7-9H,1-6H2,(H,19,20)(H3,14,15,16,17).
What are the key properties of 2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid has a molecular weight of 277.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 122491275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).