N-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine

C24H33N5O — CID 95833241

IUPACN-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine
SMILESCOc1ccccc1CCCNc1cc([C@H](C)Cn2nc(C)c(C)c2C)nc(C)n1
InChIInChI=1S/C24H33N5O/c1-16(15-29-19(4)17(2)18(3)28-29)22-14-24(27-20(5)26-22)25-13-9-11-21-10-7-8-12-23(21)30-6/h7-8,10,12,14,16H,9,11,13,15H2,1-6H3,(H,25,26,27)/t16-/m1/s1
InChIKeyRKNZHTUYBOSVSR-MRXNPFEDSA-N
MW407.56 g/mol
LogP4.76
Rot. Bonds9

About N-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine

N-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine (PubChem CID 95833241) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine
PubChem CID95833241
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine
SMILESCOc1ccccc1CCCNc1cc([C@H](C)Cn2nc(C)c(C)c2C)nc(C)n1
InChIInChI=1S/C24H33N5O/c1-16(15-29-19(4)17(2)18(3)28-29)22-14-24(27-20(5)26-22)25-13-9-11-21-10-7-8-12-23(21)30-6/h7-8,10,12,14,16H,9,11,13,15H2,1-6H3,(H,25,26,27)/t16-/m1/s1
InChIKeyRKNZHTUYBOSVSR-MRXNPFEDSA-N
XLogP4.76
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine
CID 92627823
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112867874
4-N-butan-2-yl-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112868258
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112872453
4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874136
6-N-[(2-methoxyphenyl)methyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872040
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874149
6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 106262726
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 114165599
6-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112870842
4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80770615
N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 133288903

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine (CID 95833241) is N-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine is COc1ccccc1CCCNc1cc([C@H](C)Cn2nc(C)c(C)c2C)nc(C)n1.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine?
The InChIKey is RKNZHTUYBOSVSR-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H33N5O/c1-16(15-29-19(4)17(2)18(3)28-29)22-14-24(27-20(5)26-22)25-13-9-11-21-10-7-8-12-23(21)30-6/h7-8,10,12,14,16H,9,11,13,15H2,1-6H3,(H,25,26,27)/t16-/m1/s1.
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine?
N-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine has a molecular weight of 407.56 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 95833241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).