4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol

C14H24N4O2 — CID 81132173

IUPAC4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol
SMILESCNc1ncnc(NCC2(O)CCOCC2)c1C(C)C
InChIInChI=1S/C14H24N4O2/c1-10(2)11-12(15-3)17-9-18-13(11)16-8-14(19)4-6-20-7-5-14/h9-10,19H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyUEMOKQNXBDBVAA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.60
Rot. Bonds5

About 4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol

4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol (PubChem CID 81132173) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol
PubChem CID81132173
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol
SMILESCNc1ncnc(NCC2(O)CCOCC2)c1C(C)C
InChIInChI=1S/C14H24N4O2/c1-10(2)11-12(15-3)17-9-18-13(11)16-8-14(19)4-6-20-7-5-14/h9-10,19H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyUEMOKQNXBDBVAA-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81130220
1-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80908970
4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 172899263
4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 78929377
3-[[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]-2-methyloxolan-3-ol
CID 106103523
3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol
CID 106288894
4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954262
4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol
CID 86946176
3-[(4-hydroxyoxan-4-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 81131338
6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302
1-[[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80826718
methyl 4-[(4-hydroxyoxan-4-yl)methylamino]pyrimidine-5-carboxylate
CID 114214786

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol (CID 81132173) is 4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol is CNc1ncnc(NCC2(O)CCOCC2)c1C(C)C.
What is the InChIKey of 4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol?
The InChIKey is UEMOKQNXBDBVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)11-12(15-3)17-9-18-13(11)16-8-14(19)4-6-20-7-5-14/h9-10,19H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol?
4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol has a molecular weight of 280.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 81132173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).