4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine

C13H23N5 — CID 42623810

IUPAC4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
SMILESCNC1CN(c2cc(CC(C)(C)C)nc(N)n2)C1
InChIInChI=1S/C13H23N5/c1-13(2,3)6-9-5-11(17-12(14)16-9)18-7-10(8-18)15-4/h5,10,15H,6-8H2,1-4H3,(H2,14,16,17)
InChIKeyRSODTLQQMXMAAJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.06
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine

4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine (PubChem CID 42623810) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
PubChem CID42623810
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
SMILESCNC1CN(c2cc(CC(C)(C)C)nc(N)n2)C1
InChIInChI=1S/C13H23N5/c1-13(2,3)6-9-5-11(17-12(14)16-9)18-7-10(8-18)15-4/h5,10,15H,6-8H2,1-4H3,(H2,14,16,17)
InChIKeyRSODTLQQMXMAAJ-UHFFFAOYSA-N
XLogP1.06
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine (CID 42623810) is 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine is CNC1CN(c2cc(CC(C)(C)C)nc(N)n2)C1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The InChIKey is RSODTLQQMXMAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-13(2,3)6-9-5-11(17-12(14)16-9)18-7-10(8-18)15-4/h5,10,15H,6-8H2,1-4H3,(H2,14,16,17).
What are the key properties of 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 42623810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).