4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C12H22N4O — CID 80994078

IUPAC4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCOCCNc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C12H22N4O/c1-5-17-7-6-14-12-9(4)10(13)15-11(16-12)8(2)3/h8H,5-7H2,1-4H3,(H3,13,14,15,16)
InChIKeyRCUOQYHCZXZDGH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.94
Rot. Bonds6

About 4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80994078) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80994078
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCOCCNc1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C12H22N4O/c1-5-17-7-6-14-12-9(4)10(13)15-11(16-12)8(2)3/h8H,5-7H2,1-4H3,(H3,13,14,15,16)
InChIKeyRCUOQYHCZXZDGH-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-N-(2-phenoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983631
ethyl 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanoate
CID 80984350
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 114148682
4-N-(3-methoxy-2-methylpropyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982439
N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006057
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80993947
5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80982944
3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80983114
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343135
5-methyl-4-N-(3-methylpentan-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 106332041
6-chloro-4-N-(3-ethoxypropyl)-2-propan-2-ylpyrimidine-4,5-diamine
CID 82459227

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80994078) is 4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CCOCCNc1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is RCUOQYHCZXZDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-17-7-6-14-12-9(4)10(13)15-11(16-12)8(2)3/h8H,5-7H2,1-4H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80994078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).