5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine

C19H22N4O — CID 133422616

IUPAC5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine
SMILESCc1cccc2ncnc(NCc3ccnc(OC(C)(C)C)c3)c12
InChIInChI=1S/C19H22N4O/c1-13-6-5-7-15-17(13)18(23-12-22-15)21-11-14-8-9-20-16(10-14)24-19(2,3)4/h5-10,12H,11H2,1-4H3,(H,21,22,23)
InChIKeyYXRLWVPOQWBDSV-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.12
Rot. Bonds4

About 5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine

5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine (PubChem CID 133422616) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine
PubChem CID133422616
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine
SMILESCc1cccc2ncnc(NCc3ccnc(OC(C)(C)C)c3)c12
InChIInChI=1S/C19H22N4O/c1-13-6-5-7-15-17(13)18(23-12-22-15)21-11-14-8-9-20-16(10-14)24-19(2,3)4/h5-10,12H,11H2,1-4H3,(H,21,22,23)
InChIKeyYXRLWVPOQWBDSV-UHFFFAOYSA-N
XLogP4.12
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine with MolForge

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Related Compounds

6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine
CID 133422610
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine
CID 133411366
5-methyl-N-pentylquinazolin-4-amine
CID 25175828
[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methanol
CID 61257367
4-[2-[(5-methylquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133349192
methyl 4-fluoro-3-[[(5-methylquinazolin-4-yl)amino]methyl]benzoate
CID 133449673
4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine
CID 133422618
5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831799
2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133422603
6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile
CID 133422561
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine
CID 133444711
6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine
CID 133431334

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine?
The IUPAC name of 5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine (CID 133422616) is 5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine?
The canonical SMILES for 5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine is Cc1cccc2ncnc(NCc3ccnc(OC(C)(C)C)c3)c12.
What is the InChIKey of 5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine?
The InChIKey is YXRLWVPOQWBDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-6-5-7-15-17(13)18(23-12-22-15)21-11-14-8-9-20-16(10-14)24-19(2,3)4/h5-10,12H,11H2,1-4H3,(H,21,22,23).
What are the key properties of 5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine?
5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine has a molecular weight of 322.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 133422616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).