4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C19H26N6O — CID 72929752

IUPAC4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESNc1nc2c(c(NCC(c3cccnc3)N3CCOCC3)n1)CCCC2
InChIInChI=1S/C19H26N6O/c20-19-23-16-6-2-1-5-15(16)18(24-19)22-13-17(14-4-3-7-21-12-14)25-8-10-26-11-9-25/h3-4,7,12,17H,1-2,5-6,8-11,13H2,(H3,20,22,23,24)
InChIKeyBWSHFSVNGHACSG-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.82
Rot. Bonds5

About 4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine

4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 72929752) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID72929752
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESNc1nc2c(c(NCC(c3cccnc3)N3CCOCC3)n1)CCCC2
InChIInChI=1S/C19H26N6O/c20-19-23-16-6-2-1-5-15(16)18(24-19)22-13-17(14-4-3-7-21-12-14)25-8-10-26-11-9-25/h3-4,7,12,17H,1-2,5-6,8-11,13H2,(H3,20,22,23,24)
InChIKeyBWSHFSVNGHACSG-UHFFFAOYSA-N
XLogP1.82
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131922960
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
2-methyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-6-propan-2-ylpyrimidin-4-amine
CID 95129137
4-cyclobutyl-6-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 56875402
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
1-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)methanesulfonamide
CID 112506422
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 131893880
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 131925719
N-(ethylsulfamoyl)-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 110623720
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 72929752) is 4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine is Nc1nc2c(c(NCC(c3cccnc3)N3CCOCC3)n1)CCCC2.
What is the InChIKey of 4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is BWSHFSVNGHACSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c20-19-23-16-6-2-1-5-15(16)18(24-19)22-13-17(14-4-3-7-21-12-14)25-8-10-26-11-9-25/h3-4,7,12,17H,1-2,5-6,8-11,13H2,(H3,20,22,23,24).
What are the key properties of 4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 354.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 72929752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).