4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine

C12H22N4O — CID 103460119

IUPAC4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1ncnc(NCC(C)(C)CC)c1N
InChIInChI=1S/C12H22N4O/c1-5-12(3,4)7-14-10-9(13)11(17-6-2)16-8-15-10/h8H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyNLWFPXODPKBFCZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.31
Rot. Bonds6

About 4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine

4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine (PubChem CID 103460119) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine
PubChem CID103460119
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1ncnc(NCC(C)(C)CC)c1N
InChIInChI=1S/C12H22N4O/c1-5-12(3,4)7-14-10-9(13)11(17-6-2)16-8-15-10/h8H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyNLWFPXODPKBFCZ-UHFFFAOYSA-N
XLogP2.31
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-4-N-ethylpyrimidine-4,5-diamine
CID 19135293
2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-N-tert-butylacetamide
CID 115356044
2-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251360
5-[(5-amino-6-methoxypyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141264
3-[(5-amino-6-propoxypyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106167427
6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114183130
3-[2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 114171712
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine
CID 112668285
6-ethoxy-4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine
CID 80595360
4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 103466542
3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106099400

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine (CID 103460119) is 4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine is CCOc1ncnc(NCC(C)(C)CC)c1N.
What is the InChIKey of 4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine?
The InChIKey is NLWFPXODPKBFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-12(3,4)7-14-10-9(13)11(17-6-2)16-8-15-10/h8H,5-7,13H2,1-4H3,(H,14,15,16).
What are the key properties of 4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine?
4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine is sourced from PubChem (CID 103460119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).