7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one

C26H33N5O — CID 25170775

IUPAC7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one
SMILESCCCC(CCC)N1C(=O)c2ccc(-c3c(C)nc(N(C)C)nc3C)c3nc(C)cc1c23
InChIInChI=1S/C26H33N5O/c1-8-10-18(11-9-2)31-21-14-15(3)27-24-19(12-13-20(23(21)24)25(31)32)22-16(4)28-26(30(6)7)29-17(22)5/h12-14,18H,8-11H2,1-7H3
InChIKeyXUOSAZRAZFPPMW-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.61
Rot. Bonds7

About 7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one

7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one (PubChem CID 25170775) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one.

Molecular Properties

Compound Name7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one
PubChem CID25170775
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one
SMILESCCCC(CCC)N1C(=O)c2ccc(-c3c(C)nc(N(C)C)nc3C)c3nc(C)cc1c23
InChIInChI=1S/C26H33N5O/c1-8-10-18(11-9-2)31-21-14-15(3)27-24-19(12-13-20(23(21)24)25(31)32)22-16(4)28-26(30(6)7)29-17(22)5/h12-14,18H,8-11H2,1-7H3
InChIKeyXUOSAZRAZFPPMW-UHFFFAOYSA-N
XLogP5.61
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one?
The IUPAC name of 7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one (CID 25170775) is 7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one.
What is the SMILES notation for 7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one?
The canonical SMILES for 7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one is CCCC(CCC)N1C(=O)c2ccc(-c3c(C)nc(N(C)C)nc3C)c3nc(C)cc1c23.
What is the InChIKey of 7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one?
The InChIKey is XUOSAZRAZFPPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-8-10-18(11-9-2)31-21-14-15(3)27-24-19(12-13-20(23(21)24)25(31)32)22-16(4)28-26(30(6)7)29-17(22)5/h12-14,18H,8-11H2,1-7H3.
What are the key properties of 7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one?
7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one has a molecular weight of 431.58 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2-heptan-4-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one is sourced from PubChem (CID 25170775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).