2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine

C16H22N4S — CID 80961798

IUPAC2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C(C)c2cccs2)nc(C2CC2)n1
InChIInChI=1S/C16H22N4S/c1-4-17-14-10-15(19-16(18-14)12-7-8-12)20(3)11(2)13-6-5-9-21-13/h5-6,9-12H,4,7-8H2,1-3H3,(H,17,18,19)
InChIKeyXBITYLQKLCFZLV-UHFFFAOYSA-N
MW302.45 g/mol
LogP4.04
Rot. Bonds6

About 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80961798) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID80961798
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)C(C)c2cccs2)nc(C2CC2)n1
InChIInChI=1S/C16H22N4S/c1-4-17-14-10-15(19-16(18-14)12-7-8-12)20(3)11(2)13-6-5-9-21-13/h5-6,9-12H,4,7-8H2,1-3H3,(H,17,18,19)
InChIKeyXBITYLQKLCFZLV-UHFFFAOYSA-N
XLogP4.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

2-cyclopropyl-6-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80965115
6-N-ethyl-4-N-methyl-2-methylsulfanyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80804572
4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967225
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967419
6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80804570
4-N-benzyl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80949319
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80967980
2-cyclopropyl-4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80958227
2-cyclopropyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80967706
6-hydrazinyl-N,2-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80905613
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068249
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962023

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine (CID 80961798) is 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine is CCNc1cc(N(C)C(C)c2cccs2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is XBITYLQKLCFZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-4-17-14-10-15(19-16(18-14)12-7-8-12)20(3)11(2)13-6-5-9-21-13/h5-6,9-12H,4,7-8H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 302.45 g/mol, XLogP of 4.04, 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-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80961798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).