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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Related Compounds

4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 129005899
6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80943801
4-N-(azetidin-3-yl)-6-N-(2-cyclopentylethyl)pyrimidine-4,6-diamine
CID 115264162
2-[methyl-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115266213
6-N,2-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772969
N-[[5-(azetidin-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-6-thiophen-2-ylpyrimidin-4-amine
CID 167824252
6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80778240
2-cyclopropyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80969142
6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 122282355
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421
6-N-(3,3-dimethylbutyl)-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 67157079
2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80968050

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).