2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide

C17H20N4O2 — CID 125157762

IUPAC2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(C)nc(N)n1
InChIInChI=1S/C17H20N4O2/c1-10-8-15(21-17(18)19-10)16(22)20-14-5-3-4-11-9-12(23-2)6-7-13(11)14/h6-9,14H,3-5H2,1-2H3,(H,20,22)(H2,18,19,21)/t14-/m1/s1
InChIKeyWFRWETAEVQSTDZ-CQSZACIVSA-N
MW312.37 g/mol
LogP2.18
Rot. Bonds3

About 2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide

2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide (PubChem CID 125157762) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide
PubChem CID125157762
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(C)nc(N)n1
InChIInChI=1S/C17H20N4O2/c1-10-8-15(21-17(18)19-10)16(22)20-14-5-3-4-11-9-12(23-2)6-7-13(11)14/h6-9,14H,3-5H2,1-2H3,(H,20,22)(H2,18,19,21)/t14-/m1/s1
InChIKeyWFRWETAEVQSTDZ-CQSZACIVSA-N
XLogP2.18
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzamide
CID 133200269
4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 97429752
(2R)-2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119289450
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 78319340
4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide
CID 133202152
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-4-carboxamide
CID 95706262
1-(3-methoxyphenyl)-3-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 29028111
4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 129365353
ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112
3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 100626716
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46766625

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide (CID 125157762) is 2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide is COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(C)nc(N)n1.
What is the InChIKey of 2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is WFRWETAEVQSTDZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-8-15(21-17(18)19-10)16(22)20-14-5-3-4-11-9-12(23-2)6-7-13(11)14/h6-9,14H,3-5H2,1-2H3,(H,20,22)(H2,18,19,21)/t14-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide?
2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 125157762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).