2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C22H29N3O2 — CID 133472317

IUPAC2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1ccc(CNc2nc(C)nc3c2CCCC3)c(OCC2CCOC2)c1
InChIInChI=1S/C22H29N3O2/c1-15-7-8-18(21(11-15)27-14-17-9-10-26-13-17)12-23-22-19-5-3-4-6-20(19)24-16(2)25-22/h7-8,11,17H,3-6,9-10,12-14H2,1-2H3,(H,23,24,25)
InChIKeyLDPBGUFGHSMNMV-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.00
Rot. Bonds6

About 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine

2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133472317) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133472317
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1ccc(CNc2nc(C)nc3c2CCCC3)c(OCC2CCOC2)c1
InChIInChI=1S/C22H29N3O2/c1-15-7-8-18(21(11-15)27-14-17-9-10-26-13-17)12-23-22-19-5-3-4-6-20(19)24-16(2)25-22/h7-8,11,17H,3-6,9-10,12-14H2,1-2H3,(H,23,24,25)
InChIKeyLDPBGUFGHSMNMV-UHFFFAOYSA-N
XLogP4.00
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133472317) is 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1ccc(CNc2nc(C)nc3c2CCCC3)c(OCC2CCOC2)c1.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is LDPBGUFGHSMNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-7-8-18(21(11-15)27-14-17-9-10-26-13-17)12-23-22-19-5-3-4-6-20(19)24-16(2)25-22/h7-8,11,17H,3-6,9-10,12-14H2,1-2H3,(H,23,24,25).
What are the key properties of 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 367.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133472317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).