6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine

C14H11Cl2N5 — CID 156730745

IUPAC6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine
SMILESClc1cc2cnc(Nc3cn[nH]c3Cl)nc2cc1C1CC1
InChIInChI=1S/C14H11Cl2N5/c15-10-3-8-5-17-14(20-12-6-18-21-13(12)16)19-11(8)4-9(10)7-1-2-7/h3-7H,1-2H2,(H,18,21)(H,17,19,20)
InChIKeyZSBLHSSFPMGJDT-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.28
Rot. Bonds3

About 6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine

6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine (PubChem CID 156730745) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine
PubChem CID156730745
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine
SMILESClc1cc2cnc(Nc3cn[nH]c3Cl)nc2cc1C1CC1
InChIInChI=1S/C14H11Cl2N5/c15-10-3-8-5-17-14(20-12-6-18-21-13(12)16)19-11(8)4-9(10)7-1-2-7/h3-7H,1-2H2,(H,18,21)(H,17,19,20)
InChIKeyZSBLHSSFPMGJDT-UHFFFAOYSA-N
XLogP4.28
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-[4-[6-chloro-2-[(5-chloro-1H-pyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]oxolan-3-ol
CID 156730652
6-chloro-N-[5-chloro-1-(cyclopropylmethyl)pyrazol-4-yl]-7-piperidin-4-ylquinazolin-2-amine
CID 156730691
6-chloro-N-(5-chloro-1-methylpyrazol-4-yl)-7-piperidin-4-ylquinazolin-2-amine;oxolane
CID 156730670
6-chloro-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-7-(1-methylpiperidin-4-yl)quinazolin-2-amine
CID 156730649
4-[4-[6-chloro-2-[(1,5-dimethylpyrazol-4-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 167326767
(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
6-chloro-N-(5-methyl-1-propylpyrazol-4-yl)-7-[1-(oxolan-3-yl)piperidin-4-yl]quinazolin-2-amine
CID 156730602
(3R)-4-[4-[2-[[1-(1-bicyclo[1.1.1]pentanyl)-5-methylpyrazol-4-yl]amino]-6-chloroquinazolin-7-yl]piperidin-1-yl]oxolan-3-ol
CID 167326481
(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
CID 156730761
CID 156730761
2-[4-[[6-chloro-7-[1-[(3R,4R)-4-hydroxyoxolan-3-yl]piperidin-4-yl]quinazolin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 167326498
4-[4-[6-chloro-2-[(3-chloro-1-methylpyrazol-5-yl)amino]quinazolin-7-yl]piperidin-1-yl]-4-methyloxolan-3-ol
CID 156730575

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine?
The IUPAC name of 6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine (CID 156730745) is 6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine.
What is the SMILES notation for 6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine?
The canonical SMILES for 6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine is Clc1cc2cnc(Nc3cn[nH]c3Cl)nc2cc1C1CC1.
What is the InChIKey of 6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine?
The InChIKey is ZSBLHSSFPMGJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c15-10-3-8-5-17-14(20-12-6-18-21-13(12)16)19-11(8)4-9(10)7-1-2-7/h3-7H,1-2H2,(H,18,21)(H,17,19,20).
What are the key properties of 6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine?
6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine has a molecular weight of 320.18 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-chloro-1H-pyrazol-4-yl)-7-cyclopropylquinazolin-2-amine is sourced from PubChem (CID 156730745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).