N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide

C19H17N5O — CID 95384867

IUPACN-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCCc2nc(-c3ccccc3)ncc21)c1cnccn1
InChIInChI=1S/C19H17N5O/c25-19(17-12-20-9-10-21-17)24-16-8-4-7-15-14(16)11-22-18(23-15)13-5-2-1-3-6-13/h1-3,5-6,9-12,16H,4,7-8H2,(H,24,25)/t16-/m0/s1
InChIKeyNHOLUEUFCJGFPL-INIZCTEOSA-N
MW331.38 g/mol
LogP2.74
Rot. Bonds3

About N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide

N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide (PubChem CID 95384867) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide
PubChem CID95384867
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCCc2nc(-c3ccccc3)ncc21)c1cnccn1
InChIInChI=1S/C19H17N5O/c25-19(17-12-20-9-10-21-17)24-16-8-4-7-15-14(16)11-22-18(23-15)13-5-2-1-3-6-13/h1-3,5-6,9-12,16H,4,7-8H2,(H,24,25)/t16-/m0/s1
InChIKeyNHOLUEUFCJGFPL-INIZCTEOSA-N
XLogP2.74
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
CID 56731433
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 45214726
2-chloro-N-[(5R)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]benzamide
CID 51589334
N-(2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)thiophene-2-carboxamide
CID 110237742
2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide
CID 56731428
(2R)-2-phenyl-N-[(5S)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 92582688
(2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 92582687
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]but-2-ynamide
CID 26404996
1,5-dimethyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazole-3-carboxamide
CID 95384907
3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide
CID 25454443
N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide
CID 25379238
2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 97127538

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide (CID 95384867) is N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide is O=C(N[C@H]1CCCc2nc(-c3ccccc3)ncc21)c1cnccn1.
What is the InChIKey of N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide?
The InChIKey is NHOLUEUFCJGFPL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17N5O/c25-19(17-12-20-9-10-21-17)24-16-8-4-7-15-14(16)11-22-18(23-15)13-5-2-1-3-6-13/h1-3,5-6,9-12,16H,4,7-8H2,(H,24,25)/t16-/m0/s1.
What are the key properties of N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide?
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 95384867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).