2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine

C13H16N6 — CID 110095196

IUPAC2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc(C2CCNC2)n1
InChIInChI=1S/C13H16N6/c1-9-17-11(10-3-6-14-8-10)7-12(18-9)19-13-15-4-2-5-16-13/h2,4-5,7,10,14H,3,6,8H2,1H3,(H,15,16,17,18,19)
InChIKeyNCRVDECJAYHXCY-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.40
Rot. Bonds3

About 2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine

2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine (PubChem CID 110095196) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine
PubChem CID110095196
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc(C2CCNC2)n1
InChIInChI=1S/C13H16N6/c1-9-17-11(10-3-6-14-8-10)7-12(18-9)19-13-15-4-2-5-16-13/h2,4-5,7,10,14H,3,6,8H2,1H3,(H,15,16,17,18,19)
InChIKeyNCRVDECJAYHXCY-UHFFFAOYSA-N
XLogP1.40
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine (CID 110095196) is 2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine is Cc1nc(Nc2ncccn2)cc(C2CCNC2)n1.
What is the InChIKey of 2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine?
The InChIKey is NCRVDECJAYHXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-9-17-11(10-3-6-14-8-10)7-12(18-9)19-13-15-4-2-5-16-13/h2,4-5,7,10,14H,3,6,8H2,1H3,(H,15,16,17,18,19).
What are the key properties of 2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine?
2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine has a molecular weight of 256.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 110095196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).