2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine

C11H20N4 — CID 80967560

IUPAC2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCN(C)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C11H20N4/c1-6-15(5)9-7-8(12)13-10(14-9)11(2,3)4/h7H,6H2,1-5H3,(H2,12,13,14)
InChIKeyNMPVKGFBULNCOU-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.81
Rot. Bonds2

About 2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine

2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80967560) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
PubChem CID80967560
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCN(C)c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C11H20N4/c1-6-15(5)9-7-8(12)13-10(14-9)11(2,3)4/h7H,6H2,1-5H3,(H2,12,13,14)
InChIKeyNMPVKGFBULNCOU-UHFFFAOYSA-N
XLogP1.81
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-(2-methoxyethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80961639
2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967726
2-tert-butyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80960082
3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106918446
2-tert-butyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958210
4-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80775599
2-tert-butyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80956526
2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80961089
2-[(6-amino-2-tert-butylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 80961691
4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine
CID 80967623

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine (CID 80967560) is 2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine is CCN(C)c1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is NMPVKGFBULNCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-6-15(5)9-7-8(12)13-10(14-9)11(2,3)4/h7H,6H2,1-5H3,(H2,12,13,14).
What are the key properties of 2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).