4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine

C13H14N6 — CID 106217108

IUPAC4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine
SMILESCC(Nc1ncnc2cc(N)ccc12)c1cn[nH]c1
InChIInChI=1S/C13H14N6/c1-8(9-5-17-18-6-9)19-13-11-3-2-10(14)4-12(11)15-7-16-13/h2-8H,14H2,1H3,(H,17,18)(H,15,16,19)
InChIKeyMHNBOWVCZNJWLE-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.11
Rot. Bonds3

About 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine

4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine (PubChem CID 106217108) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine
PubChem CID106217108
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine
SMILESCC(Nc1ncnc2cc(N)ccc12)c1cn[nH]c1
InChIInChI=1S/C13H14N6/c1-8(9-5-17-18-6-9)19-13-11-3-2-10(14)4-12(11)15-7-16-13/h2-8H,14H2,1H3,(H,17,18)(H,15,16,19)
InChIKeyMHNBOWVCZNJWLE-UHFFFAOYSA-N
XLogP2.11
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine
CID 65337213
N-[1-(1H-pyrazol-4-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 103853810
3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine
CID 106215673
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 103853822
5-bromo-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 106215700
3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol
CID 106348202
4-N-[1-(oxolan-2-yl)ethyl]quinazoline-4,7-diamine
CID 65337393
4-N-(dicyclopropylmethyl)quinazoline-4,7-diamine
CID 65337115
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
N-[(1S)-1-(4-aminophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460392

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine?
The IUPAC name of 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine (CID 106217108) is 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine?
The canonical SMILES for 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine is CC(Nc1ncnc2cc(N)ccc12)c1cn[nH]c1.
What is the InChIKey of 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine?
The InChIKey is MHNBOWVCZNJWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-8(9-5-17-18-6-9)19-13-11-3-2-10(14)4-12(11)15-7-16-13/h2-8H,14H2,1H3,(H,17,18)(H,15,16,19).
What are the key properties of 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine?
4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine has a molecular weight of 254.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine is sourced from PubChem (CID 106217108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).