5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine

C15H25N5 — CID 135100759

IUPAC5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCC2)nc(N[C@H]2CCCNC2)c1C
InChIInChI=1S/C15H25N5/c1-11-12(2)17-15(20-8-3-4-9-20)19-14(11)18-13-6-5-7-16-10-13/h13,16H,3-10H2,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyIAJBQIQOMWUXKT-ZDUSSCGKSA-N
MW275.40 g/mol
LogP1.86
Rot. Bonds3

About 5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine

5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 135100759) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID135100759
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCC2)nc(N[C@H]2CCCNC2)c1C
InChIInChI=1S/C15H25N5/c1-11-12(2)17-15(20-8-3-4-9-20)19-14(11)18-13-6-5-7-16-10-13/h13,16H,3-10H2,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyIAJBQIQOMWUXKT-ZDUSSCGKSA-N
XLogP1.86
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 135100759) is 5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine is Cc1nc(N2CCCC2)nc(N[C@H]2CCCNC2)c1C.
What is the InChIKey of 5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is IAJBQIQOMWUXKT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N5/c1-11-12(2)17-15(20-8-3-4-9-20)19-14(11)18-13-6-5-7-16-10-13/h13,16H,3-10H2,1-2H3,(H,17,18,19)/t13-/m0/s1.
What are the key properties of 5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(3S)-piperidin-3-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 135100759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).