4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine

C14H14IN5 — CID 80868653

IUPAC4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine
SMILESCCCNc1nc(-n2cc(I)cn2)c2ccccc2n1
InChIInChI=1S/C14H14IN5/c1-2-7-16-14-18-12-6-4-3-5-11(12)13(19-14)20-9-10(15)8-17-20/h3-6,8-9H,2,7H2,1H3,(H,16,18,19)
InChIKeyWFHUQDVALFDHIR-UHFFFAOYSA-N
MW379.21 g/mol
LogP3.24
Rot. Bonds4

About 4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine

4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine (PubChem CID 80868653) has the molecular formula C14H14IN5 and a molecular weight of 379.21 g/mol. Its IUPAC name is 4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine.

Molecular Properties

Compound Name4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine
PubChem CID80868653
Molecular FormulaC14H14IN5
Molecular Weight379.21 g/mol
Exact Mass379.03
IUPAC Name4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine
SMILESCCCNc1nc(-n2cc(I)cn2)c2ccccc2n1
InChIInChI=1S/C14H14IN5/c1-2-7-16-14-18-12-6-4-3-5-11(12)13(19-14)20-9-10(15)8-17-20/h3-6,8-9H,2,7H2,1H3,(H,16,18,19)
InChIKeyWFHUQDVALFDHIR-UHFFFAOYSA-N
XLogP3.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine
CID 80853083
4-(4-chloro-3-methylpyrazol-1-yl)-N-propylquinazolin-2-amine
CID 80840723
N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine
CID 80852984
4-N,4-N-dimethyl-2-N-propylquinazoline-2,4-diamine
CID 80765400
4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566114
6-(4-iodopyrazol-1-yl)-N-propylpyrazin-2-amine
CID 80868903
6-(4-iodopyrazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80988536
4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine
CID 80753533
2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
CID 80778175
4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331008
N-methyl-4-pyrazol-1-ylquinazolin-2-amine
CID 80854215
4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine
CID 107765966

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine?
The IUPAC name of 4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine (CID 80868653) is 4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine.
What is the SMILES notation for 4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine?
The canonical SMILES for 4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine is CCCNc1nc(-n2cc(I)cn2)c2ccccc2n1.
What is the InChIKey of 4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine?
The InChIKey is WFHUQDVALFDHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN5/c1-2-7-16-14-18-12-6-4-3-5-11(12)13(19-14)20-9-10(15)8-17-20/h3-6,8-9H,2,7H2,1H3,(H,16,18,19).
What are the key properties of 4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine?
4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine has a molecular weight of 379.21 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine is sourced from PubChem (CID 80868653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).