4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one

C24H26N4O — CID 137264931

IUPAC4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NCC3CC34CCCc3ccccc34)nc2)[nH]c(=O)c1C
InChIInChI=1S/C24H26N4O/c1-15-16(2)27-22(28-23(15)29)18-9-10-21(25-13-18)26-14-19-12-24(19)11-5-7-17-6-3-4-8-20(17)24/h3-4,6,8-10,13,19H,5,7,11-12,14H2,1-2H3,(H,25,26)(H,27,28,29)
InChIKeyNLJYSUGSOUPAKI-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.15
Rot. Bonds4

About 4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one

4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 137264931) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one
PubChem CID137264931
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(NCC3CC34CCCc3ccccc34)nc2)[nH]c(=O)c1C
InChIInChI=1S/C24H26N4O/c1-15-16(2)27-22(28-23(15)29)18-9-10-21(25-13-18)26-14-19-12-24(19)11-5-7-17-6-3-4-8-20(17)24/h3-4,6,8-10,13,19H,5,7,11-12,14H2,1-2H3,(H,25,26)(H,27,28,29)
InChIKeyNLJYSUGSOUPAKI-UHFFFAOYSA-N
XLogP4.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one (CID 137264931) is 4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one is Cc1nc(-c2ccc(NCC3CC34CCCc3ccccc34)nc2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is NLJYSUGSOUPAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-15-16(2)27-22(28-23(15)29)18-9-10-21(25-13-18)26-14-19-12-24(19)11-5-7-17-6-3-4-8-20(17)24/h3-4,6,8-10,13,19H,5,7,11-12,14H2,1-2H3,(H,25,26)(H,27,28,29).
What are the key properties of 4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one?
4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 386.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[6-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylmethylamino)-3-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137264931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).