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

C14H18N4OS — CID 129005899

IUPAC4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESc1csc(CNc2cc(NC3CCCOC3)ncn2)c1
InChIInChI=1S/C14H18N4OS/c1-3-11(9-19-5-1)18-14-7-13(16-10-17-14)15-8-12-4-2-6-20-12/h2,4,6-7,10-11H,1,3,5,8-9H2,(H2,15,16,17,18)
InChIKeyGYPQFKGBNXHTHN-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.74
Rot. Bonds5

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

4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 129005899) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID129005899
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESc1csc(CNc2cc(NC3CCCOC3)ncn2)c1
InChIInChI=1S/C14H18N4OS/c1-3-11(9-19-5-1)18-14-7-13(16-10-17-14)15-8-12-4-2-6-20-12/h2,4,6-7,10-11H,1,3,5,8-9H2,(H2,15,16,17,18)
InChIKeyGYPQFKGBNXHTHN-UHFFFAOYSA-N
XLogP2.74
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (CID 129005899) is 4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is c1csc(CNc2cc(NC3CCCOC3)ncn2)c1.
What is the InChIKey of 4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is GYPQFKGBNXHTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-11(9-19-5-1)18-14-7-13(16-10-17-14)15-8-12-4-2-6-20-12/h2,4,6-7,10-11H,1,3,5,8-9H2,(H2,15,16,17,18).
What are the key properties of 4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 290.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 129005899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).