N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine

C20H17N5O — CID 141045085

IUPACN-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine
SMILESCc1ncc(Oc2ccc(Nc3ncnc4ccccc34)cc2C)cn1
InChIInChI=1S/C20H17N5O/c1-13-9-15(7-8-19(13)26-16-10-21-14(2)22-11-16)25-20-17-5-3-4-6-18(17)23-12-24-20/h3-12H,1-2H3,(H,23,24,25)
InChIKeyKALXDUFLBBHNIZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.57
Rot. Bonds4

About N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine

N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine (PubChem CID 141045085) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine
PubChem CID141045085
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine
SMILESCc1ncc(Oc2ccc(Nc3ncnc4ccccc34)cc2C)cn1
InChIInChI=1S/C20H17N5O/c1-13-9-15(7-8-19(13)26-16-10-21-14(2)22-11-16)25-20-17-5-3-4-6-18(17)23-12-24-20/h3-12H,1-2H3,(H,23,24,25)
InChIKeyKALXDUFLBBHNIZ-UHFFFAOYSA-N
XLogP4.57
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-iodo-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;hydrochloride
CID 66623307
6-(3-aminobut-1-ynyl)-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine
CID 18616753
6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine
CID 67424710
N-naphthalen-2-ylquinazolin-4-amine
CID 110434772
2-methyl-4-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]but-3-yn-2-ol
CID 22484359
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 16875676
6-[(E)-3-aminoprop-1-enyl]-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine
CID 22484234
(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 22484233
2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]propanamide
CID 69461106
2-methyl-5-(quinazolin-4-ylamino)benzoic acid
CID 63652827
6-N-(4,5-dihydro-1,3-oxazol-2-yl)-4-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine;ethane;methanol
CID 143005182

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine?
The IUPAC name of N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine (CID 141045085) is N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine.
What is the SMILES notation for N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine?
The canonical SMILES for N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine is Cc1ncc(Oc2ccc(Nc3ncnc4ccccc34)cc2C)cn1.
What is the InChIKey of N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine?
The InChIKey is KALXDUFLBBHNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-9-15(7-8-19(13)26-16-10-21-14(2)22-11-16)25-20-17-5-3-4-6-18(17)23-12-24-20/h3-12H,1-2H3,(H,23,24,25).
What are the key properties of N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine?
N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine has a molecular weight of 343.39 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine is sourced from PubChem (CID 141045085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).