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

C10H18N4O2 — CID 82455271

IUPAC6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
SMILESCOCCOc1ncnc(NC(C)C)c1N
InChIInChI=1S/C10H18N4O2/c1-7(2)14-9-8(11)10(13-6-12-9)16-5-4-15-3/h6-7H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyUVZSSHKGDLYWCX-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.90
Rot. Bonds6

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

6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine (PubChem CID 82455271) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
PubChem CID82455271
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
SMILESCOCCOc1ncnc(NC(C)C)c1N
InChIInChI=1S/C10H18N4O2/c1-7(2)14-9-8(11)10(13-6-12-9)16-5-4-15-3/h6-7H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKeyUVZSSHKGDLYWCX-UHFFFAOYSA-N
XLogP0.90
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.90
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

6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 82455277
6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine
CID 82455281
4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117
2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455780
6-(2-methoxyethoxy)-4-N-propan-2-yl-2-propylpyrimidine-4,5-diamine
CID 82456150
4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455310
6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 82455287
6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19134968
4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455290
5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
CID 106811981
2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106184118
4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine
CID 104559912

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine (CID 82455271) is 6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine is COCCOc1ncnc(NC(C)C)c1N.
What is the InChIKey of 6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine?
The InChIKey is UVZSSHKGDLYWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)14-9-8(11)10(13-6-12-9)16-5-4-15-3/h6-7H,4-5,11H2,1-3H3,(H,12,13,14).
What are the key properties of 6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine?
6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine has a molecular weight of 226.28 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).