2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine

C16H22N4S — CID 80656846

IUPAC2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C16H22N4S/c1-3-17-15-9-12(2)18-16(19-15)11-20(13-6-7-13)10-14-5-4-8-21-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,17,18,19)
InChIKeyBCBWKWVCZHDULS-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.44
Rot. Bonds7

About 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine

2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 80656846) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID80656846
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C16H22N4S/c1-3-17-15-9-12(2)18-16(19-15)11-20(13-6-7-13)10-14-5-4-8-21-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,17,18,19)
InChIKeyBCBWKWVCZHDULS-UHFFFAOYSA-N
XLogP3.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine with MolForge

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Related Compounds

2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658200
6-N,2-diethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80934269
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967419
2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol
CID 80658050
4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933060
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411511
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine
CID 79245841
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 61450995
6-N-ethyl-2-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80955053
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine (CID 80656846) is 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(CN(Cc2cccs2)C2CC2)n1.
What is the InChIKey of 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is BCBWKWVCZHDULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-3-17-15-9-12(2)18-16(19-15)11-20(13-6-7-13)10-14-5-4-8-21-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine?
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 302.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80656846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).