N-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine

C24H31N5OS — CID 92638130

IUPACN-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCOc1cccc(CNc2cc(CC3CCN(Cc4cnc(C)s4)CC3)nc(C)n2)c1
InChIInChI=1S/C24H31N5OS/c1-17-27-21(13-24(28-17)26-14-20-5-4-6-22(12-20)30-3)11-19-7-9-29(10-8-19)16-23-15-25-18(2)31-23/h4-6,12-13,15,19H,7-11,14,16H2,1-3H3,(H,26,27,28)
InChIKeyLECLTOLLVSIBDN-UHFFFAOYSA-N
MW437.61 g/mol
LogP4.63
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine

N-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 92638130) has the molecular formula C24H31N5OS and a molecular weight of 437.61 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine
PubChem CID92638130
Molecular FormulaC24H31N5OS
Molecular Weight437.61 g/mol
Exact Mass437.22
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCOc1cccc(CNc2cc(CC3CCN(Cc4cnc(C)s4)CC3)nc(C)n2)c1
InChIInChI=1S/C24H31N5OS/c1-17-27-21(13-24(28-17)26-14-20-5-4-6-22(12-20)30-3)11-19-7-9-29(10-8-19)16-23-15-25-18(2)31-23/h4-6,12-13,15,19H,7-11,14,16H2,1-3H3,(H,26,27,28)
InChIKeyLECLTOLLVSIBDN-UHFFFAOYSA-N
XLogP4.63
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110250954
6-[(1-butan-2-ylsulfonylpiperidin-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 110250949
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111764210
[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide
CID 115266696
3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941546
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 133464861
2-(3-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825840
5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75462107
6-(2-cyclopropylethoxy)-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 144538323
2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 166178490
N-[[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 61281749
5-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 86773888

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine (CID 92638130) is N-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine is COc1cccc(CNc2cc(CC3CCN(Cc4cnc(C)s4)CC3)nc(C)n2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is LECLTOLLVSIBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5OS/c1-17-27-21(13-24(28-17)26-14-20-5-4-6-22(12-20)30-3)11-19-7-9-29(10-8-19)16-23-15-25-18(2)31-23/h4-6,12-13,15,19H,7-11,14,16H2,1-3H3,(H,26,27,28).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine?
N-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 437.61 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-methyl-6-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 92638130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).