N-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine

C10H15ClN4 — CID 105370030

IUPACN-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine
SMILESCCCN(c1ncncc1Cl)C1CNC1
InChIInChI=1S/C10H15ClN4/c1-2-3-15(8-4-12-5-8)10-9(11)6-13-7-14-10/h6-8,12H,2-5H2,1H3
InChIKeyWAPHNPXLUHHLPZ-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.32
Rot. Bonds4

About N-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine

N-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine (PubChem CID 105370030) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine
PubChem CID105370030
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC NameN-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine
SMILESCCCN(c1ncncc1Cl)C1CNC1
InChIInChI=1S/C10H15ClN4/c1-2-3-15(8-4-12-5-8)10-9(11)6-13-7-14-10/h6-8,12H,2-5H2,1H3
InChIKeyWAPHNPXLUHHLPZ-UHFFFAOYSA-N
XLogP1.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
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)-5-chloro-N-propylpyrimidin-4-amine?
The IUPAC name of N-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine (CID 105370030) is N-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine.
What is the SMILES notation for N-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine?
The canonical SMILES for N-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine is CCCN(c1ncncc1Cl)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine?
The InChIKey is WAPHNPXLUHHLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-2-3-15(8-4-12-5-8)10-9(11)6-13-7-14-10/h6-8,12H,2-5H2,1H3.
What are the key properties of N-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine?
N-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine has a molecular weight of 226.71 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-chloro-N-propylpyrimidin-4-amine is sourced from PubChem (CID 105370030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).