5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine

C16H20N4O2 — CID 10709354

IUPAC5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2cccc(OC3CCCCO3)c2)c(N)n1
InChIInChI=1S/C16H20N4O2/c17-15-12(10-19-16(18)20-15)8-11-4-3-5-13(9-11)22-14-6-1-2-7-21-14/h3-5,9-10,14H,1-2,6-8H2,(H4,17,18,19,20)
InChIKeyCRNNZXXXIAOSKP-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.14
Rot. Bonds4

About 5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine

5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 10709354) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID10709354
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2cccc(OC3CCCCO3)c2)c(N)n1
InChIInChI=1S/C16H20N4O2/c17-15-12(10-19-16(18)20-15)8-11-4-3-5-13(9-11)22-14-6-1-2-7-21-14/h3-5,9-10,14H,1-2,6-8H2,(H4,17,18,19,20)
InChIKeyCRNNZXXXIAOSKP-UHFFFAOYSA-N
XLogP2.14
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine (CID 10709354) is 5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine is Nc1ncc(Cc2cccc(OC3CCCCO3)c2)c(N)n1.
What is the InChIKey of 5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is CRNNZXXXIAOSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-15-12(10-19-16(18)20-15)8-11-4-3-5-13(9-11)22-14-6-1-2-7-21-14/h3-5,9-10,14H,1-2,6-8H2,(H4,17,18,19,20).
What are the key properties of 5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine?
5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 300.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(oxan-2-yloxy)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10709354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).