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

C20H23N5 — CID 167796755

IUPAC2-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESCc1ncc2c(n1)CCC(NCc1cn(-c3ccccc3)nc1C)C2
InChIInChI=1S/C20H23N5/c1-14-17(13-25(24-14)19-6-4-3-5-7-19)12-22-18-8-9-20-16(10-18)11-21-15(2)23-20/h3-7,11,13,18,22H,8-10,12H2,1-2H3
InChIKeyNEYWUHUJUHOKEO-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.93
Rot. Bonds4

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

2-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-6-amine (PubChem CID 167796755) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-6-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-6-amine
PubChem CID167796755
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name2-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESCc1ncc2c(n1)CCC(NCc1cn(-c3ccccc3)nc1C)C2
InChIInChI=1S/C20H23N5/c1-14-17(13-25(24-14)19-6-4-3-5-7-19)12-22-18-8-9-20-16(10-18)11-21-15(2)23-20/h3-7,11,13,18,22H,8-10,12H2,1-2H3
InChIKeyNEYWUHUJUHOKEO-UHFFFAOYSA-N
XLogP2.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-6-amine?
The IUPAC name of 2-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-6-amine (CID 167796755) is 2-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-6-amine.
What is the SMILES notation for 2-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-6-amine?
The canonical SMILES for 2-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-6-amine is Cc1ncc2c(n1)CCC(NCc1cn(-c3ccccc3)nc1C)C2.
What is the InChIKey of 2-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-6-amine?
The InChIKey is NEYWUHUJUHOKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-14-17(13-25(24-14)19-6-4-3-5-7-19)12-22-18-8-9-20-16(10-18)11-21-15(2)23-20/h3-7,11,13,18,22H,8-10,12H2,1-2H3.
What are the key properties of 2-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-6-amine?
2-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-6-amine has a molecular weight of 333.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-6-amine is sourced from PubChem (CID 167796755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).