5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine

C16H28N4O — CID 103340085

IUPAC5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCN(CCOC)c1ncc(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C16H28N4O/c1-7-8-20(9-10-21-6)15-17-11-14(13(2)19-15)12-18-16(3,4)5/h7,11,18H,1,8-10,12H2,2-6H3
InChIKeyHZGLNDOZQRKZDM-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.31
Rot. Bonds8

About 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine

5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine (PubChem CID 103340085) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine
PubChem CID103340085
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCN(CCOC)c1ncc(CNC(C)(C)C)c(C)n1
InChIInChI=1S/C16H28N4O/c1-7-8-20(9-10-21-6)15-17-11-14(13(2)19-15)12-18-16(3,4)5/h7,11,18H,1,8-10,12H2,2-6H3
InChIKeyHZGLNDOZQRKZDM-UHFFFAOYSA-N
XLogP2.31
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-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

5-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethylpyrimidin-2-amine
CID 83186144
4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine
CID 103340178
6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
CID 103340062
5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N,4-dimethylpyrimidin-2-amine
CID 83189627
(E)-3-[2-[2-methoxyethyl(prop-2-enyl)amino]pyrimidin-5-yl]prop-2-enoic acid
CID 103339644
N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 83179650
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine
CID 83179612
N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 103340081
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethylpyrimidin-2-amine
CID 83185162
N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
CID 103340214
N-cyclopropyl-N-(2-methoxyethyl)-4-methyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185808
4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83188945

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine (CID 103340085) is 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine is C=CCN(CCOC)c1ncc(CNC(C)(C)C)c(C)n1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is HZGLNDOZQRKZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-7-8-20(9-10-21-6)15-17-11-14(13(2)19-15)12-18-16(3,4)5/h7,11,18H,1,8-10,12H2,2-6H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine?
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 103340085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).