4-(azetidin-1-yl)-2-cyclopropylpyrimidine

C10H13N3 — CID 131087729

IUPAC4-(azetidin-1-yl)-2-cyclopropylpyrimidine
SMILESc1cc(N2CCC2)nc(C2CC2)n1
InChIInChI=1S/C10H13N3/c1-6-13(7-1)9-4-5-11-10(12-9)8-2-3-8/h4-5,8H,1-3,6-7H2
InChIKeyJKMOTBCHUYMPGI-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.56
Rot. Bonds2

About 4-(azetidin-1-yl)-2-cyclopropylpyrimidine

4-(azetidin-1-yl)-2-cyclopropylpyrimidine (PubChem CID 131087729) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-2-cyclopropylpyrimidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-2-cyclopropylpyrimidine
PubChem CID131087729
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name4-(azetidin-1-yl)-2-cyclopropylpyrimidine
SMILESc1cc(N2CCC2)nc(C2CC2)n1
InChIInChI=1S/C10H13N3/c1-6-13(7-1)9-4-5-11-10(12-9)8-2-3-8/h4-5,8H,1-3,6-7H2
InChIKeyJKMOTBCHUYMPGI-UHFFFAOYSA-N
XLogP1.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-2-cyclopropylpyrimidine?
The IUPAC name of 4-(azetidin-1-yl)-2-cyclopropylpyrimidine (CID 131087729) is 4-(azetidin-1-yl)-2-cyclopropylpyrimidine.
What is the SMILES notation for 4-(azetidin-1-yl)-2-cyclopropylpyrimidine?
The canonical SMILES for 4-(azetidin-1-yl)-2-cyclopropylpyrimidine is c1cc(N2CCC2)nc(C2CC2)n1.
What is the InChIKey of 4-(azetidin-1-yl)-2-cyclopropylpyrimidine?
The InChIKey is JKMOTBCHUYMPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-6-13(7-1)9-4-5-11-10(12-9)8-2-3-8/h4-5,8H,1-3,6-7H2.
What are the key properties of 4-(azetidin-1-yl)-2-cyclopropylpyrimidine?
4-(azetidin-1-yl)-2-cyclopropylpyrimidine has a molecular weight of 175.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-2-cyclopropylpyrimidine is sourced from PubChem (CID 131087729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).