N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide

C22H20N6O — CID 164556450

IUPACN-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide
SMILESCNC(=O)c1cncc(-c2ccc3ncnc(N[C@H](C)c4ccccc4)c3c2)n1
InChIInChI=1S/C22H20N6O/c1-14(15-6-4-3-5-7-15)27-21-17-10-16(8-9-18(17)25-13-26-21)19-11-24-12-20(28-19)22(29)23-2/h3-14H,1-2H3,(H,23,29)(H,25,26,27)/t14-/m1/s1
InChIKeyLKYBMLGSCARBJR-CQSZACIVSA-N
MW384.44 g/mol
LogP3.62
Rot. Bonds5

About N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide

N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide (PubChem CID 164556450) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide
PubChem CID164556450
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC NameN-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide
SMILESCNC(=O)c1cncc(-c2ccc3ncnc(N[C@H](C)c4ccccc4)c3c2)n1
InChIInChI=1S/C22H20N6O/c1-14(15-6-4-3-5-7-15)27-21-17-10-16(8-9-18(17)25-13-26-21)19-11-24-12-20(28-19)22(29)23-2/h3-14H,1-2H3,(H,23,29)(H,25,26,27)/t14-/m1/s1
InChIKeyLKYBMLGSCARBJR-CQSZACIVSA-N
XLogP3.62
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate
CID 164556584
6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 164556375
6-[5-(1-methyltriazol-4-yl)-3-pyridinyl]-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 164556578
1-[4-[4-(1-phenylethylamino)quinazolin-6-yl]phenyl]butan-2-one
CID 165054459
N-[2-chloro-5-[4-(1-phenylethylamino)quinazolin-6-yl]-3-pyridinyl]-2-(dimethylamino)ethanesulfonamide
CID 164809130
4-(2-hydroxyethyl)-1-[4-(1-phenylethylamino)quinazolin-6-yl]-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 25177898
6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 18382769
6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 69232909
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
3,5-dihydroxy-N-methoxy-6-[4-(1-phenylethylamino)quinazolin-6-yl]oxyhexanamide
CID 11590291
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide
CID 19145715
6-[(E)-1-[1-methyl-4-(methylideneamino)pyrazol-5-yl]prop-1-en-2-yl]-N-(1-phenylethyl)quinazolin-4-amine
CID 175633924

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide?
The IUPAC name of N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide (CID 164556450) is N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide is CNC(=O)c1cncc(-c2ccc3ncnc(N[C@H](C)c4ccccc4)c3c2)n1.
What is the InChIKey of N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide?
The InChIKey is LKYBMLGSCARBJR-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20N6O/c1-14(15-6-4-3-5-7-15)27-21-17-10-16(8-9-18(17)25-13-26-21)19-11-24-12-20(28-19)22(29)23-2/h3-14H,1-2H3,(H,23,29)(H,25,26,27)/t14-/m1/s1.
What are the key properties of N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide?
N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 164556450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).