3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine

C15H19N3 — CID 67756736

IUPAC3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine
SMILESCC1C=CC(CN2C=NC3=CCNC=C3C2)=CC1
InChIInChI=1S/C15H19N3/c1-12-2-4-13(5-3-12)9-18-10-14-8-16-7-6-15(14)17-11-18/h2,4-6,8,11-12,16H,3,7,9-10H2,1H3
InChIKeyWYEMSUVCDUBYOK-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.22
Rot. Bonds2

About 3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine

3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine (PubChem CID 67756736) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine
PubChem CID67756736
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine
SMILESCC1C=CC(CN2C=NC3=CCNC=C3C2)=CC1
InChIInChI=1S/C15H19N3/c1-12-2-4-13(5-3-12)9-18-10-14-8-16-7-6-15(14)17-11-18/h2,4-6,8,11-12,16H,3,7,9-10H2,1H3
InChIKeyWYEMSUVCDUBYOK-UHFFFAOYSA-N
XLogP2.22
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine;dihydrochloride
CID 67756735
1,6-Dihydropyrido[2,3-g]quinazoline
CID 88708143
1,4,4a,5-Tetrahydroquinazoline
CID 91612703
8-ethyl-4-methyl-5,8a-dihydro-3H-pyrido[2,3-d]pyrimidine
CID 123943619
8-Methyl-1,4,7,8-tetrahydroquinazoline
CID 135245104
1,7-Dihydroquinazoline;ethane
CID 142336209
(4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine
CID 143715495
2-methyl-N-[2-(5-methyl-6-methylidene-1H-pyrimidin-4-yl)prop-2-enyl]butan-1-amine
CID 144391865
N'-[4-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]cyclohexa-1,3-dien-1-yl]-N-ethyl-N-methylmethanimidamide
CID 145297840
5-Methyl-1,4,4a,5-tetrahydroquinazolin-4-amine
CID 156226497
6-[(1R)-cyclohexa-2,4-dien-1-yl]-5-methyl-1,4-dihydropyrimidine;ethane
CID 164543135
(8R)-1,4,7,8-tetramethyl-3,4,7,8-tetrahydroquinazolin-1-ium
CID 174134577

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine (CID 67756736) is 3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine is CC1C=CC(CN2C=NC3=CCNC=C3C2)=CC1.
What is the InChIKey of 3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine?
The InChIKey is WYEMSUVCDUBYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-2-4-13(5-3-12)9-18-10-14-8-16-7-6-15(14)17-11-18/h2,4-6,8,11-12,16H,3,7,9-10H2,1H3.
What are the key properties of 3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine?
3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine has a molecular weight of 241.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]-6,7-dihydro-4H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 67756736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).