N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C20H26N4O — CID 133472386

IUPACN-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCOc1ccccc1N1CCC(Nc2nc(C)nc3c2CCCC3)C1
InChIInChI=1S/C20H26N4O/c1-14-21-17-8-4-3-7-16(17)20(22-14)23-15-11-12-24(13-15)18-9-5-6-10-19(18)25-2/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3,(H,21,22,23)
InChIKeyRARYBNVIANYCNQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.36
Rot. Bonds4

About N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133472386) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133472386
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCOc1ccccc1N1CCC(Nc2nc(C)nc3c2CCCC3)C1
InChIInChI=1S/C20H26N4O/c1-14-21-17-8-4-3-7-16(17)20(22-14)23-15-11-12-24(13-15)18-9-5-6-10-19(18)25-2/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3,(H,21,22,23)
InChIKeyRARYBNVIANYCNQ-UHFFFAOYSA-N
XLogP3.36
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 72842101
N-[1-(2-methoxyphenyl)piperidin-3-yl]-6-methylpyridin-2-amine
CID 133483342
5-bromo-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 133404265
3-tert-butyl-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
CID 133494500
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 127805061
N-[1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 75374730
N-[(3S)-1-(2-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 97218826
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-3-methylquinoxalin-2-amine
CID 102557441
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100876121
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
2-methyl-N-pyrrolidin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 83836753

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133472386) is N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is COc1ccccc1N1CCC(Nc2nc(C)nc3c2CCCC3)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is RARYBNVIANYCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-21-17-8-4-3-7-16(17)20(22-14)23-15-11-12-24(13-15)18-9-5-6-10-19(18)25-2/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3,(H,21,22,23).
What are the key properties of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 338.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133472386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).