4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

C15H20N4S — CID 80986678

IUPAC4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C15H20N4S/c1-3-13-17-14(16)10(2)15(18-13)19(12-4-5-12)8-11-6-7-20-9-11/h6-7,9,12H,3-5,8H2,1-2H3,(H2,16,17,18)
InChIKeyAFJUGQFTVVEQIR-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.16
Rot. Bonds5

About 4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80986678) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80986678
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C15H20N4S/c1-3-13-17-14(16)10(2)15(18-13)19(12-4-5-12)8-11-6-7-20-9-11/h6-7,9,12H,3-5,8H2,1-2H3,(H2,16,17,18)
InChIKeyAFJUGQFTVVEQIR-UHFFFAOYSA-N
XLogP3.16
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729453
6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80979010
4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325687
5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(thiophen-3-ylmethyl)pyrazole-4,5-diamine
CID 66015805
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 61433428
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875553
2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
CID 79173041
2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine
CID 61433950
methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate
CID 114405715
5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107081264
6-bromo-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 116796613
2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-2,6-diamine
CID 63231251

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine (CID 80986678) is 4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is CCc1nc(N)c(C)c(N(Cc2ccsc2)C2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is AFJUGQFTVVEQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-3-13-17-14(16)10(2)15(18-13)19(12-4-5-12)8-11-6-7-20-9-11/h6-7,9,12H,3-5,8H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine?
4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80986678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).