N-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine

C14H24N4 — CID 114216478

IUPACN-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCN(c1nc(C)ncc1CNC)C(C)(C)C
InChIInChI=1S/C14H24N4/c1-7-8-18(14(3,4)5)13-12(9-15-6)10-16-11(2)17-13/h7,10,15H,1,8-9H2,2-6H3
InChIKeyCGOSCDDXPXWANM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.30
Rot. Bonds5

About N-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine

N-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine (PubChem CID 114216478) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine
PubChem CID114216478
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCN(c1nc(C)ncc1CNC)C(C)(C)C
InChIInChI=1S/C14H24N4/c1-7-8-18(14(3,4)5)13-12(9-15-6)10-16-11(2)17-13/h7,10,15H,1,8-9H2,2-6H3
InChIKeyCGOSCDDXPXWANM-UHFFFAOYSA-N
XLogP2.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-tert-butyl-N-prop-2-enylisoquinolin-1-amine
CID 106776621
N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine
CID 114216480
N-tert-butyl-3-[1-(methylamino)ethyl]-N-prop-2-enylpyridin-2-amine
CID 114056330
N,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 83895962
5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine
CID 130654167
N-(2,2-dimethylpropyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81246388
N-(cyclobutylmethyl)-5-(ethylaminomethyl)-N,2-dimethylpyrimidin-4-amine
CID 114216280
N-(5-methoxypyrimidin-2-yl)-N,2-dimethyl-5-[(1Z)-penta-1,4-dienyl]pyrimidin-4-amine
CID 89333428
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpyrimidin-2-amine
CID 103340085
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine
CID 114216739
N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 102545875
N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 55070105

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine (CID 114216478) is N-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine is C=CCN(c1nc(C)ncc1CNC)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine?
The InChIKey is CGOSCDDXPXWANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-7-8-18(14(3,4)5)13-12(9-15-6)10-16-11(2)17-13/h7,10,15H,1,8-9H2,2-6H3.
What are the key properties of N-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine?
N-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 114216478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).