6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

C13H18N4S — CID 80778240

IUPAC6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCc2cccs2)ncn1
InChIInChI=1S/C13H18N4S/c1-2-6-14-12-9-13(17-10-16-12)15-7-5-11-4-3-8-18-11/h3-4,8-10H,2,5-7H2,1H3,(H2,14,15,16,17)
InChIKeyWUVKEQYJFWRMLR-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.01
Rot. Bonds7

About 6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80778240) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID80778240
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCc2cccs2)ncn1
InChIInChI=1S/C13H18N4S/c1-2-6-14-12-9-13(17-10-16-12)15-7-5-11-4-3-8-18-11/h3-4,8-10H,2,5-7H2,1H3,(H2,14,15,16,17)
InChIKeyWUVKEQYJFWRMLR-UHFFFAOYSA-N
XLogP3.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808585
6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 122282355
6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80781949
2-ethyl-6-N-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80934183
4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973753
5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80872234
2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62786037
5-(propylamino)-N-(2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107374257
6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80943801
3,5-dichloro-N-propyl-6-(2-thiophen-2-ylethoxy)pyridin-2-amine
CID 102760896
N-propyl-5-(thiophen-2-ylmethoxymethyl)pyridin-2-amine
CID 55044939
N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 62481413

Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine (CID 80778240) is 6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine is CCCNc1cc(NCCc2cccs2)ncn1.
What is the InChIKey of 6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is WUVKEQYJFWRMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-2-6-14-12-9-13(17-10-16-12)15-7-5-11-4-3-8-18-11/h3-4,8-10H,2,5-7H2,1H3,(H2,14,15,16,17).
What are the key properties of 6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 262.38 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80778240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).