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

C21H27N5 — CID 46974211

IUPACN-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2)cc(C(C)Cn2nc(C)c(C)c2C)n1
InChIInChI=1S/C21H27N5/c1-14(13-26-17(4)15(2)16(3)25-26)20-11-21(24-18(5)23-20)22-12-19-9-7-6-8-10-19/h6-11,14H,12-13H2,1-5H3,(H,22,23,24)
InChIKeyXTINDYSLECNHFI-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.32
Rot. Bonds6

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

N-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine (PubChem CID 46974211) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine
PubChem CID46974211
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC NameN-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2)cc(C(C)Cn2nc(C)c(C)c2C)n1
InChIInChI=1S/C21H27N5/c1-14(13-26-17(4)15(2)16(3)25-26)20-11-21(24-18(5)23-20)22-12-19-9-7-6-8-10-19/h6-11,14H,12-13H2,1-5H3,(H,22,23,24)
InChIKeyXTINDYSLECNHFI-UHFFFAOYSA-N
XLogP4.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-[3-(2-methoxyphenyl)propyl]-2-methyl-6-[(2R)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine
CID 95833241
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
N-benzyl-6-(2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 4253034
4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870518
4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112871519
6-(benzylamino)-2-methylpyrimidine-4-carbothioamide
CID 130655265
4-N-benzyl-6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112872925
6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine
CID 113230295
4-N-[(4-chlorophenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872700
6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112871547
6-N-benzyl-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112871574

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine (CID 46974211) is N-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine is Cc1nc(NCc2ccccc2)cc(C(C)Cn2nc(C)c(C)c2C)n1.
What is the InChIKey of N-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine?
The InChIKey is XTINDYSLECNHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-14(13-26-17(4)15(2)16(3)25-26)20-11-21(24-18(5)23-20)22-12-19-9-7-6-8-10-19/h6-11,14H,12-13H2,1-5H3,(H,22,23,24).
What are the key properties of N-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine?
N-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine has a molecular weight of 349.48 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-6-[1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 46974211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).