N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine

C15H16N4OS — CID 126837755

IUPACN-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCc2nsc3ccccc23)n1
InChIInChI=1S/C15H16N4OS/c1-10-7-14(18-15(17-10)9-20-2)16-8-12-11-5-3-4-6-13(11)21-19-12/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyAHYSMAHEGRVVLU-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.15
Rot. Bonds5

About N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine

N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine (PubChem CID 126837755) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
PubChem CID126837755
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCc2nsc3ccccc23)n1
InChIInChI=1S/C15H16N4OS/c1-10-7-14(18-15(17-10)9-20-2)16-8-12-11-5-3-4-6-13(11)21-19-12/h3-7H,8-9H2,1-2H3,(H,16,17,18)
InChIKeyAHYSMAHEGRVVLU-UHFFFAOYSA-N
XLogP3.15
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine
CID 133375431
2-(methoxymethyl)-6-methyl-N-(2-quinolin-3-ylethyl)pyrimidin-4-amine
CID 138053604
[4-[2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethyl]phenyl]methanol
CID 133434753
2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine
CID 139017886
methyl 2-[[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]methyl]-3H-benzimidazole-5-carboxylate
CID 127266672
6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80654123
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133399496
(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid
CID 122049534
2-(methoxymethyl)-6-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 113401430
N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133387523
6-methoxy-2-(methoxymethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82456595
2-(methoxymethyl)-6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114957956

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine (CID 126837755) is N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine is COCc1nc(C)cc(NCc2nsc3ccccc23)n1.
What is the InChIKey of N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The InChIKey is AHYSMAHEGRVVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-7-14(18-15(17-10)9-20-2)16-8-12-11-5-3-4-6-13(11)21-19-12/h3-7H,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine has a molecular weight of 300.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-3-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126837755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).