4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine

C11H19N5 — CID 42623731

IUPAC4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
SMILESCNC1CN(c2cc(C(C)C)nc(N)n2)C1
InChIInChI=1S/C11H19N5/c1-7(2)9-4-10(15-11(12)14-9)16-5-8(6-16)13-3/h4,7-8,13H,5-6H2,1-3H3,(H2,12,14,15)
InChIKeyKKCINUZBUGOVQM-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.59
Rot. Bonds3

About 4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine

4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine (PubChem CID 42623731) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
PubChem CID42623731
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
SMILESCNC1CN(c2cc(C(C)C)nc(N)n2)C1
InChIInChI=1S/C11H19N5/c1-7(2)9-4-10(15-11(12)14-9)16-5-8(6-16)13-3/h4,7-8,13H,5-6H2,1-3H3,(H2,12,14,15)
InChIKeyKKCINUZBUGOVQM-UHFFFAOYSA-N
XLogP0.59
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine (CID 42623731) is 4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine is CNC1CN(c2cc(C(C)C)nc(N)n2)C1.
What is the InChIKey of 4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is KKCINUZBUGOVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-7(2)9-4-10(15-11(12)14-9)16-5-8(6-16)13-3/h4,7-8,13H,5-6H2,1-3H3,(H2,12,14,15).
What are the key properties of 4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine?
4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)azetidin-1-yl]-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 42623731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).