2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine

C16H23N3OS — CID 107785070

IUPAC2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(Sc2ccoc2C)c1C
InChIInChI=1S/C16H23N3OS/c1-7-17-13-10(2)14(19-15(18-13)16(4,5)6)21-12-8-9-20-11(12)3/h8-9H,7H2,1-6H3,(H,17,18,19)
InChIKeyDYDPSYDAORLDGK-UHFFFAOYSA-N
MW305.45 g/mol
LogP4.57
Rot. Bonds4

About 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine

2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine (PubChem CID 107785070) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine
PubChem CID107785070
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(Sc2ccoc2C)c1C
InChIInChI=1S/C16H23N3OS/c1-7-17-13-10(2)14(19-15(18-13)16(4,5)6)21-12-8-9-20-11(12)3/h8-9H,7H2,1-6H3,(H,17,18,19)
InChIKeyDYDPSYDAORLDGK-UHFFFAOYSA-N
XLogP4.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-ethyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine
CID 114073949
2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80990667
2-tert-butyl-N,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928408
2-tert-butyl-6-(furan-2-ylmethylsulfanyl)-N,5-dimethylpyrimidin-4-amine
CID 80991282
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80982199
N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790643
N-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928319
2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80990005
5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 114001357
2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80989793
N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80991094
(2-tert-butyl-5-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80996665

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine (CID 107785070) is 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine is CCNc1nc(C(C)(C)C)nc(Sc2ccoc2C)c1C.
What is the InChIKey of 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine?
The InChIKey is DYDPSYDAORLDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-7-17-13-10(2)14(19-15(18-13)16(4,5)6)21-12-8-9-20-11(12)3/h8-9H,7H2,1-6H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine?
2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylfuran-3-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 107785070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).