N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine

C15H14ClN5 — CID 175796418

IUPACN-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine
SMILESCc1ccc2nc(Nc3cnn(C4CC4)c3Cl)ncc2c1
InChIInChI=1S/C15H14ClN5/c1-9-2-5-12-10(6-9)7-17-15(19-12)20-13-8-18-21(14(13)16)11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,17,19,20)
InChIKeyKGFQNBGHEHFRMI-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.87
Rot. Bonds3

About N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine

N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine (PubChem CID 175796418) has the molecular formula C15H14ClN5 and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine
PubChem CID175796418
Molecular FormulaC15H14ClN5
Molecular Weight299.76 g/mol
Exact Mass299.09
IUPAC NameN-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine
SMILESCc1ccc2nc(Nc3cnn(C4CC4)c3Cl)ncc2c1
InChIInChI=1S/C15H14ClN5/c1-9-2-5-12-10(6-9)7-17-15(19-12)20-13-8-18-21(14(13)16)11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,17,19,20)
InChIKeyKGFQNBGHEHFRMI-UHFFFAOYSA-N
XLogP3.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine
CID 175881515
2-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-N-ethyl-6-methyl-7-N-[(2-methylcyclopentyl)methyl]quinazoline-2,7-diamine
CID 162748159
1-[4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]quinazolin-7-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 162748253
tert-butyl 4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]quinazolin-7-yl]piperazine-1-carboxylate
CID 162747982
N-cycloheptyl-6-methylquinazolin-2-amine
CID 176973176
N-cyclohexyl-6-methylquinazolin-2-amine
CID 156833151
6-chloro-N-(5-chloro-1-cyclopropylpyrazol-4-yl)-7-[(3R,4R)-1-(1,1-dioxothietan-3-yl)-3-fluoropiperidin-4-yl]quinazolin-2-amine
CID 167326753
(3S,4S)-4-[4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 156730834
N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]quinazolin-2-amine
CID 166296665
N-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methylquinazolin-2-amine
CID 70889870
(3S,4S)-4-[4-[6-chloro-2-[(5-chloro-1-cyclopropylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]piperazin-1-yl]oxolan-3-ol
CID 175712666
(1S)-2-[4-[6-chloro-2-[(1-cyclopropyl-5-methylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-1-(3,5-difluorophenyl)ethanol
CID 167326540

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine?
The IUPAC name of N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine (CID 175796418) is N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine.
What is the SMILES notation for N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine?
The canonical SMILES for N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine is Cc1ccc2nc(Nc3cnn(C4CC4)c3Cl)ncc2c1.
What is the InChIKey of N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine?
The InChIKey is KGFQNBGHEHFRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-9-2-5-12-10(6-9)7-17-15(19-12)20-13-8-18-21(14(13)16)11-3-4-11/h2,5-8,11H,3-4H2,1H3,(H,17,19,20).
What are the key properties of N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine?
N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine has a molecular weight of 299.76 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-cyclopropylpyrazol-4-yl)-6-methylquinazolin-2-amine is sourced from PubChem (CID 175796418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).