4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline

C15H23N3 — CID 133461624

IUPAC4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc2c(c(N3CCC(C)C3C)n1)CCCC2
InChIInChI=1S/C15H23N3/c1-10-8-9-18(11(10)2)15-13-6-4-5-7-14(13)16-12(3)17-15/h10-11H,4-9H2,1-3H3
InChIKeyMOIVIQZCDXHLSJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.90
Rot. Bonds1

About 4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline

4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 133461624) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
PubChem CID133461624
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc2c(c(N3CCC(C)C3C)n1)CCCC2
InChIInChI=1S/C15H23N3/c1-10-8-9-18(11(10)2)15-13-6-4-5-7-14(13)16-12(3)17-15/h10-11H,4-9H2,1-3H3
InChIKeyMOIVIQZCDXHLSJ-UHFFFAOYSA-N
XLogP2.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461386
2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide
CID 133462172
(4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine
CID 124744132
4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one
CID 133462213
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133461468
N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461721
[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea
CID 133461617
4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133460728
2-methyl-4-[3-(4-methylpiperazin-1-yl)azepan-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461921
1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
CID 133462020

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline (CID 133461624) is 4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline is Cc1nc2c(c(N3CCC(C)C3C)n1)CCCC2.
What is the InChIKey of 4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is MOIVIQZCDXHLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-10-8-9-18(11(10)2)15-13-6-4-5-7-14(13)16-12(3)17-15/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline?
4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 245.37 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 133461624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).