6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine

C13H18N4S — CID 80781949

IUPAC6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)c2cccs2)ncn1
InChIInChI=1S/C13H18N4S/c1-3-6-14-12-8-13(16-9-15-12)17-10(2)11-5-4-7-18-11/h4-5,7-10H,3,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyABKTUFIECWZDKP-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.53
Rot. Bonds6

About 6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine

6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80781949) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID80781949
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(C)c2cccs2)ncn1
InChIInChI=1S/C13H18N4S/c1-3-6-14-12-8-13(16-9-15-12)17-10(2)11-5-4-7-18-11/h4-5,7-10H,3,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyABKTUFIECWZDKP-UHFFFAOYSA-N
XLogP3.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80781298
6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80778240
4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80783948
6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4,6-triamine
CID 80781743
4-N-[1-(diethylamino)propan-2-yl]-6-N-propylpyrimidine-4,6-diamine
CID 80816058
2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80933955
6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896972
4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80817415
6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80804570
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
[(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763839
N-methyl-2-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62180310

Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine (CID 80781949) is 6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine is CCCNc1cc(NC(C)c2cccs2)ncn1.
What is the InChIKey of 6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is ABKTUFIECWZDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-6-14-12-8-13(16-9-15-12)17-10(2)11-5-4-7-18-11/h4-5,7-10H,3,6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 262.38 g/mol, XLogP of 3.53, 6 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-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80781949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).