N,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine

C21H25N5 — CID 119046108

IUPACN,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine
SMILESCc1cc(CNC(Cc2ccccn2)c2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C21H25N5/c1-16-13-19(25-21(24-16)26(2)3)15-23-20(17-9-5-4-6-10-17)14-18-11-7-8-12-22-18/h4-13,20,23H,14-15H2,1-3H3
InChIKeyVEBRUEKGHRBEBA-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.32
Rot. Bonds7

About N,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine

N,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine (PubChem CID 119046108) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine
PubChem CID119046108
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine
SMILESCc1cc(CNC(Cc2ccccn2)c2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C21H25N5/c1-16-13-19(25-21(24-16)26(2)3)15-23-20(17-9-5-4-6-10-17)14-18-11-7-8-12-22-18/h4-13,20,23H,14-15H2,1-3H3
InChIKeyVEBRUEKGHRBEBA-UHFFFAOYSA-N
XLogP3.32
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,2-diphenylethylamino)methyl]-N,N,6-trimethylpyrimidin-2-amine
CID 119045940
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
N,N'-bis[(1R)-1-phenyl-2-pyridin-2-ylethyl]propane-1,3-diamine
CID 102584855
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide
CID 122353929
(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate
CID 139997097
2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 75443632
N-(1-phenyl-2-pyridin-2-ylethyl)formamide
CID 57000523
N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 62550641
1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 55824515
(2R)-N-benzyl-1-pyridin-2-ylpropan-2-amine
CID 125422187
4-[(2R)-2-[[2-(dimethylamino)-3-pyridinyl]methylamino]-2-phenylethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136869318

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine?
The IUPAC name of N,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine (CID 119046108) is N,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for N,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine?
The canonical SMILES for N,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine is Cc1cc(CNC(Cc2ccccn2)c2ccccc2)nc(N(C)C)n1.
What is the InChIKey of N,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine?
The InChIKey is VEBRUEKGHRBEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-16-13-19(25-21(24-16)26(2)3)15-23-20(17-9-5-4-6-10-17)14-18-11-7-8-12-22-18/h4-13,20,23H,14-15H2,1-3H3.
What are the key properties of N,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine?
N,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine has a molecular weight of 347.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-6-[[(1-phenyl-2-pyridin-2-ylethyl)amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 119046108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).