2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine

C14H22N6 — CID 80958210

IUPAC2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCN(Cc1nccn1C)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C14H22N6/c1-14(2,3)13-17-10(15)8-11(18-13)20(5)9-12-16-6-7-19(12)4/h6-8H,9H2,1-5H3,(H2,15,17,18)
InChIKeyDLUAQZBCFQUXSX-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.73
Rot. Bonds3

About 2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine

2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80958210) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80958210
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCN(Cc1nccn1C)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C14H22N6/c1-14(2,3)13-17-10(15)8-11(18-13)20(5)9-12-16-6-7-19(12)4/h6-8H,9H2,1-5H3,(H2,15,17,18)
InChIKeyDLUAQZBCFQUXSX-UHFFFAOYSA-N
XLogP1.73
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80831583
4-N,6-N-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771884
2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967726
6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936276
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80944629
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63015692
5-N-methyl-5-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 63013748
4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63026010
6-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63024642
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82237860
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 80831186
4-bromo-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]benzene-1,2-diamine
CID 63013204

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine (CID 80958210) is 2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine is CN(Cc1nccn1C)c1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is DLUAQZBCFQUXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-14(2,3)13-17-10(15)8-11(18-13)20(5)9-12-16-6-7-19(12)4/h6-8H,9H2,1-5H3,(H2,15,17,18).
What are the key properties of 2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine?
2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80958210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).