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

C15H20N4S — CID 80808866

IUPAC4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C15H20N4S/c1-3-16-15-17-9-11(2)14(18-15)19(12-6-7-12)10-13-5-4-8-20-13/h4-5,8-9,12H,3,6-7,10H2,1-2H3,(H,16,17,18)
InChIKeyXXVWGOLPNDOACF-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.45
Rot. Bonds6

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

4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80808866) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80808866
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C15H20N4S/c1-3-16-15-17-9-11(2)14(18-15)19(12-6-7-12)10-13-5-4-8-20-13/h4-5,8-9,12H,3,6-7,10H2,1-2H3,(H,16,17,18)
InChIKeyXXVWGOLPNDOACF-UHFFFAOYSA-N
XLogP3.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-bromo-4-N-cyclopropyl-2-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809068
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80774891
N-cyclopropyl-5-(ethylaminomethyl)-3-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 80631053
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 80821171
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781911
2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80775595
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-methylpyridine-3-carbaldehyde
CID 80636982
5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 114215437
[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 61449696
4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778927
N-cyclopropyl-6-[1-(methylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 83122008
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine (CID 80808866) is 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is CCNc1ncc(C)c(N(Cc2cccs2)C2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is XXVWGOLPNDOACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-3-16-15-17-9-11(2)14(18-15)19(12-6-7-12)10-13-5-4-8-20-13/h4-5,8-9,12H,3,6-7,10H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80808866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).