2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine

C14H24N4 — CID 80958191

IUPAC2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CC2C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24N4/c1-6-15-11-8-12(16-10-7-9(10)2)18-13(17-11)14(3,4)5/h8-10H,6-7H2,1-5H3,(H2,15,16,17,18)
InChIKeyQFXTYJGTYHBDKD-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.03
Rot. Bonds4

About 2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine

2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine (PubChem CID 80958191) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
PubChem CID80958191
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CC2C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24N4/c1-6-15-11-8-12(16-10-7-9(10)2)18-13(17-11)14(3,4)5/h8-10H,6-7H2,1-5H3,(H2,15,16,17,18)
InChIKeyQFXTYJGTYHBDKD-UHFFFAOYSA-N
XLogP3.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-N-ethyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
CID 80956653
3-[[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959795
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80958635
4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80935219
6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771675
6-hydrazinyl-N-(2-methylcyclopropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775639
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80968134
2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine
CID 80969799
2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
CID 80959481
2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958954
2-tert-butyl-N-ethyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80956511

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine (CID 80958191) is 2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine is CCNc1cc(NC2CC2C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine?
The InChIKey is QFXTYJGTYHBDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-6-15-11-8-12(16-10-7-9(10)2)18-13(17-11)14(3,4)5/h8-10H,6-7H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine?
2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N-ethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80958191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).