N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine

C18H25N5O — CID 7642466

IUPACN-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine
SMILESC[C@H]1[C@H](C)CCC[C@@H]1N1CN=C(Nc2nc3ccccc3o2)NC1
InChIInChI=1S/C18H25N5O/c1-12-6-5-8-15(13(12)2)23-10-19-17(20-11-23)22-18-21-14-7-3-4-9-16(14)24-18/h3-4,7,9,12-13,15H,5-6,8,10-11H2,1-2H3,(H2,19,20,21,22)/t12-,13+,15+/m1/s1
InChIKeyLQXFYMSTKVYQHS-IPYPFGDCSA-N
MW327.43 g/mol
LogP3.24
Rot. Bonds2

About N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine

N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 7642466) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID7642466
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine
SMILESC[C@H]1[C@H](C)CCC[C@@H]1N1CN=C(Nc2nc3ccccc3o2)NC1
InChIInChI=1S/C18H25N5O/c1-12-6-5-8-15(13(12)2)23-10-19-17(20-11-23)22-18-21-14-7-3-4-9-16(14)24-18/h3-4,7,9,12-13,15H,5-6,8,10-11H2,1-2H3,(H2,19,20,21,22)/t12-,13+,15+/m1/s1
InChIKeyLQXFYMSTKVYQHS-IPYPFGDCSA-N
XLogP3.24
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine
CID 11910406
4-methyl-N-[3-[(1R,2R)-2-methylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 939063
N-[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine
CID 664281
N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine
CID 942515
N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63318578
N-(2,5-dimethylpyrrol-1-yl)-1,3-benzoxazol-2-amine
CID 79106270
N-(2-methyloxolan-3-yl)-1,3-benzoxazol-2-amine
CID 82728937
N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine
CID 62381342
cis-(1S,2R)-2-N-(1,3-benzoxazol-2-yl)cyclohexane-1,2-diamine
CID 93454080
2-(1,3-benzoxazol-2-ylamino)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135436391
N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine
CID 103703598
2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-(2-methylpropyl)-4,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-5-one
CID 71660759

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine (CID 7642466) is N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine is C[C@H]1[C@H](C)CCC[C@@H]1N1CN=C(Nc2nc3ccccc3o2)NC1.
What is the InChIKey of N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is LQXFYMSTKVYQHS-IPYPFGDCSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-6-5-8-15(13(12)2)23-10-19-17(20-11-23)22-18-21-14-7-3-4-9-16(14)24-18/h3-4,7,9,12-13,15H,5-6,8,10-11H2,1-2H3,(H2,19,20,21,22)/t12-,13+,15+/m1/s1.
What are the key properties of N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine?
N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 327.43 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 7642466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).