6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine

C15H25N3S — CID 80638386

IUPAC6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine
SMILESCCCNc1nc(C2CCCCS2)nc(CC)c1C
InChIInChI=1S/C15H25N3S/c1-4-9-16-14-11(3)12(5-2)17-15(18-14)13-8-6-7-10-19-13/h13H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyBQPVNXZNNZRBPZ-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.13
Rot. Bonds5

About 6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine

6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine (PubChem CID 80638386) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine
PubChem CID80638386
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine
SMILESCCCNc1nc(C2CCCCS2)nc(CC)c1C
InChIInChI=1S/C15H25N3S/c1-4-9-16-14-11(3)12(5-2)17-15(18-14)13-8-6-7-10-19-13/h13H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyBQPVNXZNNZRBPZ-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 103346626
6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 65413827
6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80638585
2-cyclopropyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80976122
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991863
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968
5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80638975
5-bromo-4-chloro-6-ethyl-2-(thian-2-yl)pyrimidine
CID 80622284
2-cyclobutyl-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299102
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 103346655
6-ethyl-5-methyl-2-(4-methylmorpholin-2-yl)-N-propylpyrimidin-4-amine
CID 79089266
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine (CID 80638386) is 6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine is CCCNc1nc(C2CCCCS2)nc(CC)c1C.
What is the InChIKey of 6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine?
The InChIKey is BQPVNXZNNZRBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-4-9-16-14-11(3)12(5-2)17-15(18-14)13-8-6-7-10-19-13/h13H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine?
6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine has a molecular weight of 279.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80638386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).