5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine

C17H24N4 — CID 83179612

IUPAC5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine
SMILESCc1nc(N(C)c2ccccc2)ncc1CNC(C)(C)C
InChIInChI=1S/C17H24N4/c1-13-14(12-19-17(2,3)4)11-18-16(20-13)21(5)15-9-7-6-8-10-15/h6-11,19H,12H2,1-5H3
InChIKeyNPMLKAAKVOAYBH-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.44
Rot. Bonds4

About 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine

5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine (PubChem CID 83179612) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine
PubChem CID83179612
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine
SMILESCc1nc(N(C)c2ccccc2)ncc1CNC(C)(C)C
InChIInChI=1S/C17H24N4/c1-13-14(12-19-17(2,3)4)11-18-16(20-13)21(5)15-9-7-6-8-10-15/h6-11,19H,12H2,1-5H3
InChIKeyNPMLKAAKVOAYBH-UHFFFAOYSA-N
XLogP3.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine
CID 83185162
2-[(tert-butylamino)methyl]-N-methyl-N-phenylaniline
CID 63060146
N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 83179650
5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine
CID 83189627
5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine
CID 83186144
N-ethyl-4-methyl-5-(methylaminomethyl)-N-phenylpyrimidin-2-amine
CID 83185236
5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine
CID 83186234
1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine
CID 83187513
N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83180589
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine
CID 103340085
5-[(tert-butylamino)methyl]-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 83178532
2-methyl-N-[[4-methyl-2-(4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 83186537

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine (CID 83179612) is 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine is Cc1nc(N(C)c2ccccc2)ncc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine?
The InChIKey is NPMLKAAKVOAYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-14(12-19-17(2,3)4)11-18-16(20-13)21(5)15-9-7-6-8-10-15/h6-11,19H,12H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine?
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine has a molecular weight of 284.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 83179612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).