4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol

C14H24N4O2 — CID 81132271

IUPAC4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol
SMILESCCNc1nc(C)nc(NCC2(O)CCOCC2)c1C
InChIInChI=1S/C14H24N4O2/c1-4-15-12-10(2)13(18-11(3)17-12)16-9-14(19)5-7-20-8-6-14/h19H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyPINXAHAHYUJOKS-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.48
Rot. Bonds5

About 4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol

4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol (PubChem CID 81132271) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol
PubChem CID81132271
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol
SMILESCCNc1nc(C)nc(NCC2(O)CCOCC2)c1C
InChIInChI=1S/C14H24N4O2/c1-4-15-12-10(2)13(18-11(3)17-12)16-9-14(19)5-7-20-8-6-14/h19H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyPINXAHAHYUJOKS-UHFFFAOYSA-N
XLogP1.48
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol (CID 81132271) is 4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol is CCNc1nc(C)nc(NCC2(O)CCOCC2)c1C.
What is the InChIKey of 4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol?
The InChIKey is PINXAHAHYUJOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-15-12-10(2)13(18-11(3)17-12)16-9-14(19)5-7-20-8-6-14/h19H,4-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol?
4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol has a molecular weight of 280.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 81132271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).