N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine

C21H26N6O — CID 166136017

IUPACN,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3coc(-c4ccccc4)n3)CC2)nc(N(C)C)n1
InChIInChI=1S/C21H26N6O/c1-16-13-19(24-21(22-16)25(2)3)27-11-9-26(10-12-27)14-18-15-28-20(23-18)17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3
InChIKeyBYRQLAIMZUJRIB-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.83
Rot. Bonds5

About N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine

N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 166136017) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID166136017
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3coc(-c4ccccc4)n3)CC2)nc(N(C)C)n1
InChIInChI=1S/C21H26N6O/c1-16-13-19(24-21(22-16)25(2)3)27-11-9-26(10-12-27)14-18-15-28-20(23-18)17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3
InChIKeyBYRQLAIMZUJRIB-UHFFFAOYSA-N
XLogP2.83
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166604642
4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 166136014
2-(4-methoxyphenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 56672810
(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95326252
4-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63720352
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 112914136
2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56675742
4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 74231613
4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 56669146
4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine
CID 165433962
N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 165431760

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine (CID 166136017) is N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCN(Cc3coc(-c4ccccc4)n3)CC2)nc(N(C)C)n1.
What is the InChIKey of N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is BYRQLAIMZUJRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-16-13-19(24-21(22-16)25(2)3)27-11-9-26(10-12-27)14-18-15-28-20(23-18)17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3.
What are the key properties of N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 378.48 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 166136017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).