4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

C12H15N5S — CID 115264138

IUPAC4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESc1csc(CNc2cc(NC3CNC3)ncn2)c1
InChIInChI=1S/C12H15N5S/c1-2-10(18-3-1)7-14-11-4-12(16-8-15-11)17-9-5-13-6-9/h1-4,8-9,13H,5-7H2,(H2,14,15,16,17)
InChIKeyCFZJIIGZGQEUTB-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.53
Rot. Bonds5

About 4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 115264138) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID115264138
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESc1csc(CNc2cc(NC3CNC3)ncn2)c1
InChIInChI=1S/C12H15N5S/c1-2-10(18-3-1)7-14-11-4-12(16-8-15-11)17-9-5-13-6-9/h1-4,8-9,13H,5-7H2,(H2,14,15,16,17)
InChIKeyCFZJIIGZGQEUTB-UHFFFAOYSA-N
XLogP1.53
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (CID 115264138) is 4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is c1csc(CNc2cc(NC3CNC3)ncn2)c1.
What is the InChIKey of 4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is CFZJIIGZGQEUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-2-10(18-3-1)7-14-11-4-12(16-8-15-11)17-9-5-13-6-9/h1-4,8-9,13H,5-7H2,(H2,14,15,16,17).
What are the key properties of 4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 261.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(azetidin-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115264138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).