N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine

C23H24N4O — CID 127034852

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine
SMILESCOc1cccc([C@H](C)Nc2cc(-c3cc4ccccc4n3C)nc(C)n2)c1
InChIInChI=1S/C23H24N4O/c1-15(17-9-7-10-19(12-17)28-4)24-23-14-20(25-16(2)26-23)22-13-18-8-5-6-11-21(18)27(22)3/h5-15H,1-4H3,(H,24,25,26)/t15-/m0/s1
InChIKeyVJUHDGGXZKAOSY-HNNXBMFYSA-N
MW372.47 g/mol
LogP5.13
Rot. Bonds5

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine

N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine (PubChem CID 127034852) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine
PubChem CID127034852
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine
SMILESCOc1cccc([C@H](C)Nc2cc(-c3cc4ccccc4n3C)nc(C)n2)c1
InChIInChI=1S/C23H24N4O/c1-15(17-9-7-10-19(12-17)28-4)24-23-14-20(25-16(2)26-23)22-13-18-8-5-6-11-21(18)27(22)3/h5-15H,1-4H3,(H,24,25,26)/t15-/m0/s1
InChIKeyVJUHDGGXZKAOSY-HNNXBMFYSA-N
XLogP5.13
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine (CID 127034852) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine is COc1cccc([C@H](C)Nc2cc(-c3cc4ccccc4n3C)nc(C)n2)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine?
The InChIKey is VJUHDGGXZKAOSY-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-15(17-9-7-10-19(12-17)28-4)24-23-14-20(25-16(2)26-23)22-13-18-8-5-6-11-21(18)27(22)3/h5-15H,1-4H3,(H,24,25,26)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine has a molecular weight of 372.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 127034852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).