2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C20H24N6O — CID 133472611

IUPAC2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NC(c3nc(-c4cccnc4)no3)C(C)C)n1)CCCC2
InChIInChI=1S/C20H24N6O/c1-12(2)17(20-25-18(26-27-20)14-7-6-10-21-11-14)24-19-15-8-4-5-9-16(15)22-13(3)23-19/h6-7,10-12,17H,4-5,8-9H2,1-3H3,(H,22,23,24)
InChIKeyUYUYHPBLGUPJAK-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.92
Rot. Bonds5

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

2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133472611) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133472611
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(NC(c3nc(-c4cccnc4)no3)C(C)C)n1)CCCC2
InChIInChI=1S/C20H24N6O/c1-12(2)17(20-25-18(26-27-20)14-7-6-10-21-11-14)24-19-15-8-4-5-9-16(15)22-13(3)23-19/h6-7,10-12,17H,4-5,8-9H2,1-3H3,(H,22,23,24)
InChIKeyUYUYHPBLGUPJAK-UHFFFAOYSA-N
XLogP3.92
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

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Related Compounds

N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 133374764
3-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133443819
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
1-(3,4-dichlorophenyl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]methanesulfonamide
CID 56581989
3-cyclopentyl-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52863068
N-(1-methylsulfonylpropan-2-yl)-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 139009186
N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 52518584
2-methyl-3-[(2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]propan-1-ol
CID 166225615
(6S)-3-methyl-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 97239105
(1S,2R)-1-amino-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 29300337
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
1-(3-fluoro-5-methylphenyl)-3-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 126767138

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133472611) is 2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nc2c(c(NC(c3nc(-c4cccnc4)no3)C(C)C)n1)CCCC2.
What is the InChIKey of 2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is UYUYHPBLGUPJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-12(2)17(20-25-18(26-27-20)14-7-6-10-21-11-14)24-19-15-8-4-5-9-16(15)22-13(3)23-19/h6-7,10-12,17H,4-5,8-9H2,1-3H3,(H,22,23,24).
What are the key properties of 2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133472611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).