4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine

C13H24N4O — CID 113401247

IUPAC4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)(C)C)nc(COCC)n1
InChIInChI=1S/C13H24N4O/c1-6-14-10-8-11(17-13(3,4)5)16-12(15-10)9-18-7-2/h8H,6-7,9H2,1-5H3,(H2,14,15,16,17)
InChIKeyYZROZKURWSWKAF-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.66
Rot. Bonds6

About 4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine

4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 113401247) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID113401247
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)(C)C)nc(COCC)n1
InChIInChI=1S/C13H24N4O/c1-6-14-10-8-11(17-13(3,4)5)16-12(15-10)9-18-7-2/h8H,6-7,9H2,1-5H3,(H2,14,15,16,17)
InChIKeyYZROZKURWSWKAF-UHFFFAOYSA-N
XLogP2.66
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179290
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
2-(ethoxymethyl)-6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106412236
2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 114174651
2-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]-ethylamino]acetamide
CID 103104342
2-(ethoxymethyl)-N-ethyl-6-(oxetan-3-yloxy)pyrimidin-4-amine
CID 102608853
4-N-(3,3-dimethylcyclopentyl)-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 114542162
3-[[2-(ethoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106179231
N-ethyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476182
4-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106198301
3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 114143246
4-N-(2-cyclopropylethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401538

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine (CID 113401247) is 4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(NC(C)(C)C)nc(COCC)n1.
What is the InChIKey of 4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is YZROZKURWSWKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-14-10-8-11(17-13(3,4)5)16-12(15-10)9-18-7-2/h8H,6-7,9H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine?
4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-(ethoxymethyl)-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 113401247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).