2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine

C15H26N4 — CID 80968134

IUPAC2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)C2CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4/c1-6-16-12-10-13(19(7-2)11-8-9-11)18-14(17-12)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyZMAVJXQJXZQUNM-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.19
Rot. Bonds5

About 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine

2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine (PubChem CID 80968134) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine
PubChem CID80968134
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)C2CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4/c1-6-16-12-10-13(19(7-2)11-8-9-11)18-14(17-12)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyZMAVJXQJXZQUNM-UHFFFAOYSA-N
XLogP3.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80962129
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875677
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80960352
6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717403
2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967633
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80960291
2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80961049
4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772085
2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
CID 80958191
4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954276
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102875864
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557046

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine (CID 80968134) is 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine is CCNc1cc(N(CC)C2CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine?
The InChIKey is ZMAVJXQJXZQUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-6-16-12-10-13(19(7-2)11-8-9-11)18-14(17-12)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.19, 5 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-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80968134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).