(4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide

C18H22N6O — CID 153364723

IUPAC(4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide
SMILES[H]/N=C1\N(C)C(C)=C(C(=O)Nc2ccc3c(C)nccc3c2)[C@@H](C)N1N
InChIInChI=1S/C18H22N6O/c1-10-15-6-5-14(9-13(15)7-8-21-10)22-17(25)16-11(2)23(4)18(19)24(20)12(16)3/h5-9,12,19H,20H2,1-4H3,(H,22,25)/b19-18+/t12-/m1/s1
InChIKeySKDKLBIULIOSJN-ROHOOWMXSA-N
MW338.42 g/mol
LogP2.20
Rot. Bonds2

About (4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide

(4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide (PubChem CID 153364723) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide
PubChem CID153364723
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide
SMILES[H]/N=C1\N(C)C(C)=C(C(=O)Nc2ccc3c(C)nccc3c2)[C@@H](C)N1N
InChIInChI=1S/C18H22N6O/c1-10-15-6-5-14(9-13(15)7-8-21-10)22-17(25)16-11(2)23(4)18(19)24(20)12(16)3/h5-9,12,19H,20H2,1-4H3,(H,22,25)/b19-18+/t12-/m1/s1
InChIKeySKDKLBIULIOSJN-ROHOOWMXSA-N
XLogP2.20
TPSA98.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

3-amino-N-[4-amino-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-4-carboximidoyl]phenyl]-2-imino-1,6-dimethyl-4H-pyrimidine-5-carboxamide
CID 153364822
1-methyl-6-methylsulfonylisoquinoline
CID 125457788
N-(1-aminoisoquinolin-6-yl)-2-methylpropanamide
CID 58181545
1,6-dimethylisoquinoline;ethane
CID 156751069
2-[1-hydroxy-3-[(1-methylisoquinolin-6-yl)amino]-2-oxopropyl]-4-(4-methylphenyl)morpholin-3-one
CID 91418321
N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide
CID 153496072
N-[4-(4-methylphenyl)sulfonylphenyl]isoquinoline-1-carboxamide
CID 177399589
N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide
CID 164850344
4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide
CID 153496100
(7S)-N-[3-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-1H-indazol-5-yl]-4,5,7-trimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 156866845
N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide
CID 146626709
2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109310790

Frequently Asked Questions

What is the IUPAC name of (4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide (CID 153364723) is (4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide is [H]/N=C1\N(C)C(C)=C(C(=O)Nc2ccc3c(C)nccc3c2)[C@@H](C)N1N.
What is the InChIKey of (4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide?
The InChIKey is SKDKLBIULIOSJN-ROHOOWMXSA-N. The full InChI is InChI=1S/C18H22N6O/c1-10-15-6-5-14(9-13(15)7-8-21-10)22-17(25)16-11(2)23(4)18(19)24(20)12(16)3/h5-9,12,19H,20H2,1-4H3,(H,22,25)/b19-18+/t12-/m1/s1.
What are the key properties of (4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide?
(4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-amino-2-imino-1,4,6-trimethyl-N-(1-methylisoquinolin-6-yl)-4H-pyrimidine-5-carboxamide is sourced from PubChem (CID 153364723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).