6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C11H13N3OS — CID 66324994

IUPAC6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCOc1ncnc(NCc2cccs2)c1C
InChIInChI=1S/C11H13N3OS/c1-8-10(13-7-14-11(8)15-2)12-6-9-4-3-5-16-9/h3-5,7H,6H2,1-2H3,(H,12,13,14)
InChIKeyFGXJLFHCMBHBSK-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.47
Rot. Bonds4

About 6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 66324994) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID66324994
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCOc1ncnc(NCc2cccs2)c1C
InChIInChI=1S/C11H13N3OS/c1-8-10(13-7-14-11(8)15-2)12-6-9-4-3-5-16-9/h3-5,7H,6H2,1-2H3,(H,12,13,14)
InChIKeyFGXJLFHCMBHBSK-UHFFFAOYSA-N
XLogP2.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80774342
6-chloro-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729925
6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66327251
5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80872234
6-methoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 114127983
6-methoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325637
6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 66326238
N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 4286982
6-methoxy-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 66327266
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 79241724
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 103292944

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 66324994) is 6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is COc1ncnc(NCc2cccs2)c1C.
What is the InChIKey of 6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is FGXJLFHCMBHBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-10(13-7-14-11(8)15-2)12-6-9-4-3-5-16-9/h3-5,7H,6H2,1-2H3,(H,12,13,14).
What are the key properties of 6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 235.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66324994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).