2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane

C16H27N3 — CID 143604667

IUPAC2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
SMILESCCC.Cc1nc2c(c(N3CCCC3)n1)CCCC2
InChIInChI=1S/C13H19N3.C3H8/c1-10-14-12-7-3-2-6-11(12)13(15-10)16-8-4-5-9-16;1-3-2/h2-9H2,1H3;3H2,1-2H3
InChIKeyJWUNKEHSCNOTEE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.68
Rot. Bonds1

About 2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane

2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane (PubChem CID 143604667) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane.

Molecular Properties

Compound Name2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
PubChem CID143604667
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
SMILESCCC.Cc1nc2c(c(N3CCCC3)n1)CCCC2
InChIInChI=1S/C13H19N3.C3H8/c1-10-14-12-7-3-2-6-11(12)13(15-10)16-8-4-5-9-16;1-3-2/h2-9H2,1H3;3H2,1-2H3
InChIKeyJWUNKEHSCNOTEE-UHFFFAOYSA-N
XLogP3.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 71133473
(4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine
CID 124744132
4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133460728
ethyl (3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylate
CID 133472617
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461386
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
4-(4-benzyl-1,4-diazepan-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 71858582
2-methyl-4-[3-(4-methylpiperazin-1-yl)azepan-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461921
4-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133460856
2,2-dimethyl-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)thiomorpholine
CID 133461802
2-methyl-4-[4-(triazol-1-ylmethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133462008
[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea
CID 133461617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane?
The IUPAC name of 2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane (CID 143604667) is 2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane.
What is the SMILES notation for 2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane?
The canonical SMILES for 2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane is CCC.Cc1nc2c(c(N3CCCC3)n1)CCCC2.
What is the InChIKey of 2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane?
The InChIKey is JWUNKEHSCNOTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3.C3H8/c1-10-14-12-7-3-2-6-11(12)13(15-10)16-8-4-5-9-16;1-3-2/h2-9H2,1H3;3H2,1-2H3.
What are the key properties of 2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane?
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane has a molecular weight of 261.41 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane is sourced from PubChem (CID 143604667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).