4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine

C14H21N5O2 — CID 70856439

IUPAC4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1OCc1c(C)noc1C
InChIInChI=1S/C14H21N5O2/c1-4-5-6-16-13-12(7-17-14(15)18-13)20-8-11-9(2)19-21-10(11)3/h7H,4-6,8H2,1-3H3,(H3,15,16,17,18)
InChIKeyAHTWZMABCRCKCL-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.45
Rot. Bonds7

About 4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine

4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine (PubChem CID 70856439) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine
PubChem CID70856439
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1OCc1c(C)noc1C
InChIInChI=1S/C14H21N5O2/c1-4-5-6-16-13-12(7-17-14(15)18-13)20-8-11-9(2)19-21-10(11)3/h7H,4-6,8H2,1-3H3,(H3,15,16,17,18)
InChIKeyAHTWZMABCRCKCL-UHFFFAOYSA-N
XLogP2.45
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine (CID 70856439) is 4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine is CCCCNc1nc(N)ncc1OCc1c(C)noc1C.
What is the InChIKey of 4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine?
The InChIKey is AHTWZMABCRCKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-5-6-16-13-12(7-17-14(15)18-13)20-8-11-9(2)19-21-10(11)3/h7H,4-6,8H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine?
4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 70856439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).