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

C13H22N4O2 — CID 114954173

IUPAC4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
SMILESCc1nc(N)c(C)c(N(C)CC2(O)CCOCC2)n1
InChIInChI=1S/C13H22N4O2/c1-9-11(14)15-10(2)16-12(9)17(3)8-13(18)4-6-19-7-5-13/h18H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyFPYVQERLXSBJHN-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.65
Rot. Bonds3

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

4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol (PubChem CID 114954173) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
PubChem CID114954173
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
SMILESCc1nc(N)c(C)c(N(C)CC2(O)CCOCC2)n1
InChIInChI=1S/C13H22N4O2/c1-9-11(14)15-10(2)16-12(9)17(3)8-13(18)4-6-19-7-5-13/h18H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyFPYVQERLXSBJHN-UHFFFAOYSA-N
XLogP0.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 102760185
4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954120
4-[[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]oxan-4-ol
CID 114952384
4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol
CID 114947739
4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114954159
4-N-(cyclopropylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80798139
5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136999433
4-[[methyl-(3-methylquinolin-2-yl)amino]methyl]oxan-4-ol
CID 114952231
4-[[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]methyl]oxan-4-ol
CID 103365839
4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 114947689
4-[[(4-amino-6-bromopyrimidin-2-yl)-methylamino]methyl]oxan-4-ol
CID 114953948
5-amino-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carboxamide
CID 114947788

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol (CID 114954173) is 4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol is Cc1nc(N)c(C)c(N(C)CC2(O)CCOCC2)n1.
What is the InChIKey of 4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
The InChIKey is FPYVQERLXSBJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-11(14)15-10(2)16-12(9)17(3)8-13(18)4-6-19-7-5-13/h18H,4-8H2,1-3H3,(H2,14,15,16).
What are the key properties of 4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol has a molecular weight of 266.34 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114954173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).