N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine

C12H20N4 — CID 66183116

IUPACN-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CNC2)nc(C(C)C)n1
InChIInChI=1S/C12H20N4/c1-8(2)12-14-9(3)5-11(15-12)16(4)10-6-13-7-10/h5,8,10,13H,6-7H2,1-4H3
InChIKeyYWCUXAYZRHYPBM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.32
Rot. Bonds3

About N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine

N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 66183116) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID66183116
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CNC2)nc(C(C)C)n1
InChIInChI=1S/C12H20N4/c1-8(2)12-14-9(3)5-11(15-12)16(4)10-6-13-7-10/h5,8,10,13H,6-7H2,1-4H3
InChIKeyYWCUXAYZRHYPBM-UHFFFAOYSA-N
XLogP1.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 66183116) is N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine is Cc1cc(N(C)C2CNC2)nc(C(C)C)n1.
What is the InChIKey of N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is YWCUXAYZRHYPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8(2)12-14-9(3)5-11(15-12)16(4)10-6-13-7-10/h5,8,10,13H,6-7H2,1-4H3.
What are the key properties of N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine?
N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N,6-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66183116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).