N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-3-ylpyrimidin-4-amine

C19H20N4O — CID 71465418

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1cccc([C@H](C)Nc2cc(-c3cccnc3)nc(C)n2)c1
InChIInChI=1S/C19H20N4O/c1-13(15-6-4-8-17(10-15)24-3)21-19-11-18(22-14(2)23-19)16-7-5-9-20-12-16/h4-13H,1-3H3,(H,21,22,23)/t13-/m0/s1
InChIKeyNFNIJCPVMNFLLZ-ZDUSSCGKSA-N
MW320.40 g/mol
LogP4.03
Rot. Bonds5

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-3-ylpyrimidin-4-amine

N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-3-ylpyrimidin-4-amine (PubChem CID 71465418) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-3-ylpyrimidin-4-amine
PubChem CID71465418
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1cccc([C@H](C)Nc2cc(-c3cccnc3)nc(C)n2)c1
InChIInChI=1S/C19H20N4O/c1-13(15-6-4-8-17(10-15)24-3)21-19-11-18(22-14(2)23-19)16-7-5-9-20-12-16/h4-13H,1-3H3,(H,21,22,23)/t13-/m0/s1
InChIKeyNFNIJCPVMNFLLZ-ZDUSSCGKSA-N
XLogP4.03
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.03
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-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-3-ylpyrimidin-4-amine (CID 71465418) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-3-ylpyrimidin-4-amine is COc1cccc([C@H](C)Nc2cc(-c3cccnc3)nc(C)n2)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is NFNIJCPVMNFLLZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13(15-6-4-8-17(10-15)24-3)21-19-11-18(22-14(2)23-19)16-7-5-9-20-12-16/h4-13H,1-3H3,(H,21,22,23)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-3-ylpyrimidin-4-amine?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 320.40 g/mol, XLogP of 4.03, 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-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 71465418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).