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

C17H19N5O2 — CID 89247983

IUPAC(6S)-2-amino-6-[3-(2,3-dihydrofuran-4-yl)-1H-indazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccc3[nH]nc(C4=COCC4)c3c2)N=C1N
InChIInChI=1S/C17H19N5O2/c1-17(8-14(23)22(2)16(18)19-17)11-3-4-13-12(7-11)15(21-20-13)10-5-6-24-9-10/h3-4,7,9H,5-6,8H2,1-2H3,(H2,18,19)(H,20,21)/t17-/m0/s1
InChIKeyOWMONAFCQWPRFB-KRWDZBQOSA-N
MW325.37 g/mol
LogP1.72
Rot. Bonds2

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

(6S)-2-amino-6-[3-(2,3-dihydrofuran-4-yl)-1H-indazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 89247983) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (6S)-2-amino-6-[3-(2,3-dihydrofuran-4-yl)-1H-indazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[3-(2,3-dihydrofuran-4-yl)-1H-indazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID89247983
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(6S)-2-amino-6-[3-(2,3-dihydrofuran-4-yl)-1H-indazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccc3[nH]nc(C4=COCC4)c3c2)N=C1N
InChIInChI=1S/C17H19N5O2/c1-17(8-14(23)22(2)16(18)19-17)11-3-4-13-12(7-11)15(21-20-13)10-5-6-24-9-10/h3-4,7,9H,5-6,8H2,1-2H3,(H2,18,19)(H,20,21)/t17-/m0/s1
InChIKeyOWMONAFCQWPRFB-KRWDZBQOSA-N
XLogP1.72
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

(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-[2-(2-methylpent-3-yn-2-yl)-3H-benzimidazol-5-yl]-5H-pyrimidin-4-one
CID 122647890
(6S)-2-amino-3,6-dimethyl-6-(3-pyridin-3-yl-1-benzothiophen-5-yl)-5H-pyrimidin-4-one
CID 59387006
(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-[3-(2-chloro-4-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388821
(6S)-2-amino-3,6-dimethyl-6-[3-(3-oxopiperazin-1-yl)phenyl]-5H-pyrimidin-4-one
CID 59387987
(6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 89248111
2-amino-3,6-dimethyl-6-(9-oxo-6-prop-1-ynylfluoren-3-yl)-5H-pyrimidin-4-one
CID 135222007
2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11594966
2-amino-3,6-dimethyl-6-(3-prop-1-ynylbenzo[f][1]benzofuran-6-yl)-5H-pyrimidin-4-one
CID 135222105
2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11501327
(6S)-2-amino-6-[3-bromo-1-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387084

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[3-(2,3-dihydrofuran-4-yl)-1H-indazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[3-(2,3-dihydrofuran-4-yl)-1H-indazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 89247983) is (6S)-2-amino-6-[3-(2,3-dihydrofuran-4-yl)-1H-indazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[3-(2,3-dihydrofuran-4-yl)-1H-indazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[3-(2,3-dihydrofuran-4-yl)-1H-indazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2ccc3[nH]nc(C4=COCC4)c3c2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[3-(2,3-dihydrofuran-4-yl)-1H-indazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is OWMONAFCQWPRFB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-17(8-14(23)22(2)16(18)19-17)11-3-4-13-12(7-11)15(21-20-13)10-5-6-24-9-10/h3-4,7,9H,5-6,8H2,1-2H3,(H2,18,19)(H,20,21)/t17-/m0/s1.
What are the key properties of (6S)-2-amino-6-[3-(2,3-dihydrofuran-4-yl)-1H-indazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[3-(2,3-dihydrofuran-4-yl)-1H-indazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 325.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[3-(2,3-dihydrofuran-4-yl)-1H-indazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 89247983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).