2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine

C14H22N2 — CID 123799232

IUPAC2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine
SMILESCc1nc(C)c2c(n1)CCCCCCCC2
InChIInChI=1S/C14H22N2/c1-11-13-9-7-5-3-4-6-8-10-14(13)16-12(2)15-11/h3-10H2,1-2H3
InChIKeyYBZLHCZVYFLPID-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.53
Rot. Bonds

About 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine

2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine (PubChem CID 123799232) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine
PubChem CID123799232
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine
SMILESCc1nc(C)c2c(n1)CCCCCCCC2
InChIInChI=1S/C14H22N2/c1-11-13-9-7-5-3-4-6-8-10-14(13)16-12(2)15-11/h3-10H2,1-2H3
InChIKeyYBZLHCZVYFLPID-UHFFFAOYSA-N
XLogP3.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane
CID 178044254
4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207
2,4-dimethyl-5,7,8,9-tetrahydrothiepino[4,3-d]pyrimidine
CID 177024316
1-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine
CID 80503862
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
4-methyl-2-methylsulfinyl-5,6,7,8-tetrahydroquinazoline
CID 23057759
2,4-dimethyl-5,6,8,9-tetrahydrothiepino[4,5-d]pyrimidine;ethane
CID 177024439
2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride
CID 75530624
N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine
CID 83833536
N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine
CID 105493609
3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propanoic acid
CID 105494737
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine?
The IUPAC name of 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine (CID 123799232) is 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine?
The canonical SMILES for 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine is Cc1nc(C)c2c(n1)CCCCCCCC2.
What is the InChIKey of 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine?
The InChIKey is YBZLHCZVYFLPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-13-9-7-5-3-4-6-8-10-14(13)16-12(2)15-11/h3-10H2,1-2H3.
What are the key properties of 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine?
2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine has a molecular weight of 218.34 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine is sourced from PubChem (CID 123799232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).