6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine

C17H18BrN5O — CID 167967292

IUPAC6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine
SMILESCn1cc(C2CC(Nc3ncnc4ccc(Br)cc34)CCO2)cn1
InChIInChI=1S/C17H18BrN5O/c1-23-9-11(8-21-23)16-7-13(4-5-24-16)22-17-14-6-12(18)2-3-15(14)19-10-20-17/h2-3,6,8-10,13,16H,4-5,7H2,1H3,(H,19,20,22)
InChIKeyNKCVDVHGPZWHGH-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.46
Rot. Bonds3

About 6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine

6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine (PubChem CID 167967292) has the molecular formula C17H18BrN5O and a molecular weight of 388.27 g/mol. Its IUPAC name is 6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine
PubChem CID167967292
Molecular FormulaC17H18BrN5O
Molecular Weight388.27 g/mol
Exact Mass387.07
IUPAC Name6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine
SMILESCn1cc(C2CC(Nc3ncnc4ccc(Br)cc34)CCO2)cn1
InChIInChI=1S/C17H18BrN5O/c1-23-9-11(8-21-23)16-7-13(4-5-24-16)22-17-14-6-12(18)2-3-15(14)19-10-20-17/h2-3,6,8-10,13,16H,4-5,7H2,1H3,(H,19,20,22)
InChIKeyNKCVDVHGPZWHGH-UHFFFAOYSA-N
XLogP3.46
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine
CID 126823574
4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine
CID 154763477
6-bromo-N-(3-methoxycyclohexyl)quinazolin-4-amine
CID 133399430
4-(4-bromooxan-2-yl)-1-methylpyrazole
CID 157045046
6-bromo-N-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-4-amine
CID 133381158
2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide
CID 146094430
N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine
CID 118475382
methyl 6-bromo-4-[(2-phenyloxan-4-yl)amino]quinoline-2-carboxylate
CID 133474199
6-methyl-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 129333421
methyl 4-[(2-tert-butyloxan-4-yl)amino]quinazoline-6-carboxylate
CID 166294036
6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine
CID 133353341
7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine
CID 97253924

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine (CID 167967292) is 6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine is Cn1cc(C2CC(Nc3ncnc4ccc(Br)cc34)CCO2)cn1.
What is the InChIKey of 6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine?
The InChIKey is NKCVDVHGPZWHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O/c1-23-9-11(8-21-23)16-7-13(4-5-24-16)22-17-14-6-12(18)2-3-15(14)19-10-20-17/h2-3,6,8-10,13,16H,4-5,7H2,1H3,(H,19,20,22).
What are the key properties of 6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine?
6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine has a molecular weight of 388.27 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]quinazolin-4-amine is sourced from PubChem (CID 167967292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).