N-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

C16H17N3OS — CID 78857932

IUPACN-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(N(Cc2ccco2)Cc2cccs2)n1
InChIInChI=1S/C16H17N3OS/c1-12-9-13(2)18-16(17-12)19(10-14-5-3-7-20-14)11-15-6-4-8-21-15/h3-9H,10-11H2,1-2H3
InChIKeyJBKYAQIEIJTGIM-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.95
Rot. Bonds5

About N-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

N-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 78857932) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID78857932
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCc1cc(C)nc(N(Cc2ccco2)Cc2cccs2)n1
InChIInChI=1S/C16H17N3OS/c1-12-9-13(2)18-16(17-12)19(10-14-5-3-7-20-14)11-15-6-4-8-21-15/h3-9H,10-11H2,1-2H3
InChIKeyJBKYAQIEIJTGIM-UHFFFAOYSA-N
XLogP3.95
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338362
3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 133333994
N-(2,6-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677649
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea
CID 24528932
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
(E)-N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 16617006
N-(furan-2-ylmethyl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 18157870
1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 16554026
2-ethylsulfonyl-5-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 35181662

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 78857932) is N-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is Cc1cc(C)nc(N(Cc2ccco2)Cc2cccs2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is JBKYAQIEIJTGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-12-9-13(2)18-16(17-12)19(10-14-5-3-7-20-14)11-15-6-4-8-21-15/h3-9H,10-11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
N-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 78857932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).