6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one

C20H24Cl2N4O — CID 155165286

IUPAC6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)cc(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C20H24Cl2N4O/c1-13-24-17(25-10-8-20(9-11-25)7-3-6-16(20)23)12-18(27)26(13)15-5-2-4-14(21)19(15)22/h2,4-5,12,16H,3,6-11,23H2,1H3/t16-/m1/s1
InChIKeyVMCYJNVWYSUJHO-MRXNPFEDSA-N
MW407.35 g/mol
LogP3.95
Rot. Bonds2

About 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one

6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one (PubChem CID 155165286) has the molecular formula C20H24Cl2N4O and a molecular weight of 407.35 g/mol. Its IUPAC name is 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one
PubChem CID155165286
Molecular FormulaC20H24Cl2N4O
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)cc(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C20H24Cl2N4O/c1-13-24-17(25-10-8-20(9-11-25)7-3-6-16(20)23)12-18(27)26(13)15-5-2-4-14(21)19(15)22/h2,4-5,12,16H,3,6-11,23H2,1H3/t16-/m1/s1
InChIKeyVMCYJNVWYSUJHO-MRXNPFEDSA-N
XLogP3.95
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one (CID 155165286) is 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one is Cc1nc(N2CCC3(CCC[C@H]3N)CC2)cc(=O)n1-c1cccc(Cl)c1Cl.
What is the InChIKey of 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one?
The InChIKey is VMCYJNVWYSUJHO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24Cl2N4O/c1-13-24-17(25-10-8-20(9-11-25)7-3-6-16(20)23)12-18(27)26(13)15-5-2-4-14(21)19(15)22/h2,4-5,12,16H,3,6-11,23H2,1H3/t16-/m1/s1.
What are the key properties of 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one?
6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one has a molecular weight of 407.35 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 155165286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).