(6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one

C17H20BrN5O — CID 59387084

IUPAC(6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccc3c(Br)nn(CC4CC4)c3c2)N=C1N
InChIInChI=1S/C17H20BrN5O/c1-17(8-14(24)22(2)16(19)20-17)11-5-6-12-13(7-11)23(21-15(12)18)9-10-3-4-10/h5-7,10H,3-4,8-9H2,1-2H3,(H2,19,20)/t17-/m0/s1
InChIKeyZJDRFIPXGOXOAN-KRWDZBQOSA-N
MW390.29 g/mol
LogP2.60
Rot. Bonds3

About (6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59387084) has the molecular formula C17H20BrN5O and a molecular weight of 390.29 g/mol. Its IUPAC name is (6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59387084
Molecular FormulaC17H20BrN5O
Molecular Weight390.29 g/mol
Exact Mass389.09
IUPAC Name(6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccc3c(Br)nn(CC4CC4)c3c2)N=C1N
InChIInChI=1S/C17H20BrN5O/c1-17(8-14(24)22(2)16(19)20-17)11-5-6-12-13(7-11)23(21-15(12)18)9-10-3-4-10/h5-7,10H,3-4,8-9H2,1-2H3,(H2,19,20)/t17-/m0/s1
InChIKeyZJDRFIPXGOXOAN-KRWDZBQOSA-N
XLogP2.60
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59386823
2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 23731035
(6S)-2-amino-6-(3-bromo-2,3-dihydro-1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 91210918
(6S)-2-amino-3,6-dimethyl-6-(3-methyl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one
CID 59387047
(6S)-2-amino-6-[8-(2-cyclopropylethynyl)dibenzothiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 122647732
(6S)-2-amino-3,6-dimethyl-6-[3-(5-methylthiophen-2-yl)-1-benzothiophen-5-yl]-5H-pyrimidin-4-one
CID 70134091
(6S)-2-amino-6-(2-benzylindazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[5-(3-bromophenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(cyclopropylmethyl)-3-(4-methylthiophen-2-yl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-6-(3-ethylphenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-(3-ethylphenyl)-3,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one
CID 161252462
(6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one
CID 70129994
(6S)-2-amino-6-(5-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387896
(6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one
CID 59386916
2-amino-3,6-dimethyl-6-(9-oxo-6-prop-1-ynylfluoren-3-yl)-5H-pyrimidin-4-one
CID 135222007
N-[3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]phenyl]formamide
CID 143213351

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 59387084) is (6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2ccc3c(Br)nn(CC4CC4)c3c2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is ZJDRFIPXGOXOAN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20BrN5O/c1-17(8-14(24)22(2)16(19)20-17)11-5-6-12-13(7-11)23(21-15(12)18)9-10-3-4-10/h5-7,10H,3-4,8-9H2,1-2H3,(H2,19,20)/t17-/m0/s1.
What are the key properties of (6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 390.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59387084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).