4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine

C12H22N4O2 — CID 80957424

IUPAC4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCOCCOCCNc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-9(2)12-15-10(13)8-11(16-12)14-4-5-18-7-6-17-3/h8-9H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyIQGKXBXWVAGZIJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.26
Rot. Bonds8

About 4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine

4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80957424) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80957424
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCOCCOCCNc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-9(2)12-15-10(13)8-11(16-12)14-4-5-18-7-6-17-3/h8-9H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyIQGKXBXWVAGZIJ-UHFFFAOYSA-N
XLogP1.26
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80955755
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80966926
N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 63767232
4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960186
4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine
CID 80766455
6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 95454176
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol
CID 113498157
N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83030494
6-chloro-N-(2-ethoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954148
methyl 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 80961310
N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332318

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80957424) is 4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine is COCCOCCNc1cc(N)nc(C(C)C)n1.
What is the InChIKey of 4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is IQGKXBXWVAGZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9(2)12-15-10(13)8-11(16-12)14-4-5-18-7-6-17-3/h8-9H,4-7H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80957424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).