4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine

C11H19N5 — CID 66183488

IUPAC4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCCN(c1ccnc(N(C)C)n1)C1CNC1
InChIInChI=1S/C11H19N5/c1-4-16(9-7-12-8-9)10-5-6-13-11(14-10)15(2)3/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyGODYZIXLRFUHBK-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.34
Rot. Bonds4

About 4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 66183488) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID66183488
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCCN(c1ccnc(N(C)C)n1)C1CNC1
InChIInChI=1S/C11H19N5/c1-4-16(9-7-12-8-9)10-5-6-13-11(14-10)15(2)3/h5-6,9,12H,4,7-8H2,1-3H3
InChIKeyGODYZIXLRFUHBK-UHFFFAOYSA-N
XLogP0.34
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 66183488) is 4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine is CCN(c1ccnc(N(C)C)n1)C1CNC1.
What is the InChIKey of 4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is GODYZIXLRFUHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-4-16(9-7-12-8-9)10-5-6-13-11(14-10)15(2)3/h5-6,9,12H,4,7-8H2,1-3H3.
What are the key properties of 4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(azetidin-3-yl)-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 66183488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).