N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine

C19H22N6 — CID 45176482

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCn1cc(CNC2CCCc3nc(-c4cccnc4)ncc32)cn1
InChIInChI=1S/C19H22N6/c1-2-25-13-14(10-23-25)9-21-17-6-3-7-18-16(17)12-22-19(24-18)15-5-4-8-20-11-15/h4-5,8,10-13,17,21H,2-3,6-7,9H2,1H3
InChIKeyFMUOIJYEZUZYCX-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.92
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine

N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 45176482) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID45176482
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCn1cc(CNC2CCCc3nc(-c4cccnc4)ncc32)cn1
InChIInChI=1S/C19H22N6/c1-2-25-13-14(10-23-25)9-21-17-6-3-7-18-16(17)12-22-19(24-18)15-5-4-8-20-11-15/h4-5,8,10-13,17,21H,2-3,6-7,9H2,1H3
InChIKeyFMUOIJYEZUZYCX-UHFFFAOYSA-N
XLogP2.92
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine with MolForge

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Related Compounds

N-(furan-3-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 45205825
N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009476
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 45228915
[5-[[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)amino]methyl]furan-2-yl]methanol
CID 45252320
(5S)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 42192978
(5R)-N-(3-phenylpropyl)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 42192976
N-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009305
N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide
CID 25379238
N-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009306
N-ethyl-2-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 114554257
N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385347
2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide
CID 51589334

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 45176482) is N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine is CCn1cc(CNC2CCCc3nc(-c4cccnc4)ncc32)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is FMUOIJYEZUZYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-25-13-14(10-23-25)9-21-17-6-3-7-18-16(17)12-22-19(24-18)15-5-4-8-20-11-15/h4-5,8,10-13,17,21H,2-3,6-7,9H2,1H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 334.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 45176482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).