(6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

C19H23N3O2 — CID 143244650

IUPAC(6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCOC1C=C(c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)C=CC1
InChIInChI=1S/C19H23N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-8,10-11,16H,9,12H2,1-3H3,(H2,20,21)/t16?,19-/m0/s1
InChIKeyFNUGZZVJPOYTPJ-CVMIBEPCSA-N
MW325.41 g/mol
LogP2.44
Rot. Bonds3

About (6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 143244650) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID143244650
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCOC1C=C(c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)C=CC1
InChIInChI=1S/C19H23N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-8,10-11,16H,9,12H2,1-3H3,(H2,20,21)/t16?,19-/m0/s1
InChIKeyFNUGZZVJPOYTPJ-CVMIBEPCSA-N
XLogP2.44
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11594966
(6S)-2-amino-6-[3-(2-chloro-4-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388821
2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 23731035
(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one
CID 59388911
2-amino-6-[3-(3-methoxy-5-methylsulfanyloxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 143493653
(6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one
CID 59386916
N-[3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]phenyl]acetamide
CID 143213303
N-[3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]phenyl]formamide
CID 143213351
2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11501327
(6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 89248111
(6S)-2-amino-3,6-dimethyl-6-[3-(3-oxopiperazin-1-yl)phenyl]-5H-pyrimidin-4-one
CID 59387987
2-amino-6-[3-(3-chloro-6-methylcyclohexa-2,4-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 70324728

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 143244650) is (6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is COC1C=C(c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)C=CC1.
What is the InChIKey of (6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is FNUGZZVJPOYTPJ-CVMIBEPCSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-8,10-11,16H,9,12H2,1-3H3,(H2,20,21)/t16?,19-/m0/s1.
What are the key properties of (6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 325.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[3-(3-methoxycyclohexa-1,5-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 143244650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).