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

C15H20N4S — CID 80967419

IUPAC2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)Cc2cccs2)nc(C2CC2)n1
InChIInChI=1S/C15H20N4S/c1-3-16-13-9-14(18-15(17-13)11-6-7-11)19(2)10-12-5-4-8-20-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,16,17,18)
InChIKeyMWHJSUQKJLUSCO-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.48
Rot. Bonds6

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

2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80967419) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80967419
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)Cc2cccs2)nc(C2CC2)n1
InChIInChI=1S/C15H20N4S/c1-3-16-13-9-14(18-15(17-13)11-6-7-11)19(2)10-12-5-4-8-20-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,16,17,18)
InChIKeyMWHJSUQKJLUSCO-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80961694
6-chloro-2-cyclopropyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80953768
6-N,2-diethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80934269
4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80949319
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80961798
2-cyclopropyl-4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80958227
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80956049
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80656846
4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967225
4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933060
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962023
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068249

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (CID 80967419) is 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is CCNc1cc(N(C)Cc2cccs2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is MWHJSUQKJLUSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-3-16-13-9-14(18-15(17-13)11-6-7-11)19(2)10-12-5-4-8-20-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80967419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).