N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine

C13H16N6O — CID 171993839

IUPACN-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCOc1cc(N2CCC(Nc3ncccn3)C2)ncn1
InChIInChI=1S/C13H16N6O/c1-20-12-7-11(16-9-17-12)19-6-3-10(8-19)18-13-14-4-2-5-15-13/h2,4-5,7,9-10H,3,6,8H2,1H3,(H,14,15,18)
InChIKeyIOUTWLRWXAFFHG-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.97
Rot. Bonds4

About N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine

N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 171993839) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID171993839
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCOc1cc(N2CCC(Nc3ncccn3)C2)ncn1
InChIInChI=1S/C13H16N6O/c1-20-12-7-11(16-9-17-12)19-6-3-10(8-19)18-13-14-4-2-5-15-13/h2,4-5,7,9-10H,3,6,8H2,1H3,(H,14,15,18)
InChIKeyIOUTWLRWXAFFHG-UHFFFAOYSA-N
XLogP0.97
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine (CID 171993839) is N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine is COc1cc(N2CCC(Nc3ncccn3)C2)ncn1.
What is the InChIKey of N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is IOUTWLRWXAFFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-20-12-7-11(16-9-17-12)19-6-3-10(8-19)18-13-14-4-2-5-15-13/h2,4-5,7,9-10H,3,6,8H2,1H3,(H,14,15,18).
What are the key properties of N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine?
N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 272.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 171993839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).