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

C18H23N5O — CID 59386823

IUPAC(6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccc3cn(CC4CCC4)nc3c2)N=C1N
InChIInChI=1S/C18H23N5O/c1-18(9-16(24)22(2)17(19)20-18)14-7-6-13-11-23(21-15(13)8-14)10-12-4-3-5-12/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,19,20)/t18-/m0/s1
InChIKeyHTNMECXNZOUQDC-SFHVURJKSA-N
MW325.42 g/mol
LogP2.23
Rot. Bonds3

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

(6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59386823) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59386823
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(c2ccc3cn(CC4CCC4)nc3c2)N=C1N
InChIInChI=1S/C18H23N5O/c1-18(9-16(24)22(2)17(19)20-18)14-7-6-13-11-23(21-15(13)8-14)10-12-4-3-5-12/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,19,20)/t18-/m0/s1
InChIKeyHTNMECXNZOUQDC-SFHVURJKSA-N
XLogP2.23
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 59386823) is (6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(c2ccc3cn(CC4CCC4)nc3c2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is HTNMECXNZOUQDC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N5O/c1-18(9-16(24)22(2)17(19)20-18)14-7-6-13-11-23(21-15(13)8-14)10-12-4-3-5-12/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,19,20)/t18-/m0/s1.
What are the key properties of (6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 325.42 g/mol, XLogP of 2.23, 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-[2-(cyclobutylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59386823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).