4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine

C12H20N4 — CID 112867710

IUPAC4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(NC(C)(C)C)nc(C)n1
InChIInChI=1S/C12H20N4/c1-6-7-13-10-8-11(15-9(2)14-10)16-12(3,4)5/h6,8H,1,7H2,2-5H3,(H2,13,14,15,16)
InChIKeyYQRVEMRLGRTOPY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.59
Rot. Bonds4

About 4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine

4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine (PubChem CID 112867710) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
PubChem CID112867710
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(NC(C)(C)C)nc(C)n1
InChIInChI=1S/C12H20N4/c1-6-7-13-10-8-11(15-9(2)14-10)16-12(3,4)5/h6,8H,1,7H2,2-5H3,(H2,13,14,15,16)
InChIKeyYQRVEMRLGRTOPY-UHFFFAOYSA-N
XLogP2.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-tert-butyl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879638
2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867831
2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867661
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870568
4-N-(2,3-dichlorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867819
2-methyl-6-N-prop-2-enyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112867774
N-(4-tert-butylphenyl)-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361268
4-N-(3-fluorophenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867796
4-N-(4-bromo-2-methylphenyl)-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867800
6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867644
2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361248
6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
CID 112907684

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine (CID 112867710) is 4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine is C=CCNc1cc(NC(C)(C)C)nc(C)n1.
What is the InChIKey of 4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
The InChIKey is YQRVEMRLGRTOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-6-7-13-10-8-11(15-9(2)14-10)16-12(3,4)5/h6,8H,1,7H2,2-5H3,(H2,13,14,15,16).
What are the key properties of 4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine?
4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-methyl-6-N-prop-2-enylpyrimidine-4,6-diamine is sourced from PubChem (CID 112867710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).