6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine

C15H26N4O2 — CID 82457938

IUPAC6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine
SMILESCCCCOc1nc(C2CCCO2)nc(NC(C)C)c1N
InChIInChI=1S/C15H26N4O2/c1-4-5-8-21-15-12(16)14(17-10(2)3)18-13(19-15)11-7-6-9-20-11/h10-11H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyRQMWUMBICVOYSB-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.91
Rot. Bonds7

About 6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine

6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine (PubChem CID 82457938) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine
PubChem CID82457938
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine
SMILESCCCCOc1nc(C2CCCO2)nc(NC(C)C)c1N
InChIInChI=1S/C15H26N4O2/c1-4-5-8-21-15-12(16)14(17-10(2)3)18-13(19-15)11-7-6-9-20-11/h10-11H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyRQMWUMBICVOYSB-UHFFFAOYSA-N
XLogP2.91
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.91
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-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82457859
4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457954
4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine
CID 82457921
6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine
CID 82457901
4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457926
6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457894
6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457803
6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 82457953
2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
CID 82457771
6-butoxy-4-N-tert-butyl-2-cyclopropylpyrimidine-4,5-diamine
CID 82456312
6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82457877
2-cyclopropyl-4-N-(oxolan-2-ylmethyl)-6-propoxypyrimidine-4,5-diamine
CID 82456275

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine (CID 82457938) is 6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine is CCCCOc1nc(C2CCCO2)nc(NC(C)C)c1N.
What is the InChIKey of 6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine?
The InChIKey is RQMWUMBICVOYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-5-8-21-15-12(16)14(17-10(2)3)18-13(19-15)11-7-6-9-20-11/h10-11H,4-9,16H2,1-3H3,(H,17,18,19).
What are the key properties of 6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine?
6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine has a molecular weight of 294.40 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 82457938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).