1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol

C12H20N4O3 — CID 106674447

IUPAC1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCCNc1cc(N2CC(O)C(O)C2)nc(COC)n1
InChIInChI=1S/C12H20N4O3/c1-3-13-10-4-12(15-11(14-10)7-19-2)16-5-8(17)9(18)6-16/h4,8-9,17-18H,3,5-7H2,1-2H3,(H,13,14,15)
InChIKeyIOAJVQRGFCDAAO-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.40
Rot. Bonds5

About 1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol

1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol (PubChem CID 106674447) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
PubChem CID106674447
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCCNc1cc(N2CC(O)C(O)C2)nc(COC)n1
InChIInChI=1S/C12H20N4O3/c1-3-13-10-4-12(15-11(14-10)7-19-2)16-5-8(17)9(18)6-16/h4,8-9,17-18H,3,5-7H2,1-2H3,(H,13,14,15)
InChIKeyIOAJVQRGFCDAAO-UHFFFAOYSA-N
XLogP-0.40
TPSA90.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971298
1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683910
1-[6-(ethylamino)-2-propylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674486
[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640655
1-[6-(ethylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674454
3-[[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137938
1-[6-(ethylamino)-2-propylpyrimidin-4-yl]piperidin-3-ol
CID 80955342
6-N-ethyl-2-(methoxymethyl)-4-N-(3-methylcyclobutyl)pyrimidine-4,6-diamine
CID 113467592
4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 106015138
N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80933054
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674413
(1R,5R)-3-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
CID 98204954

Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol (CID 106674447) is 1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol is CCNc1cc(N2CC(O)C(O)C2)nc(COC)n1.
What is the InChIKey of 1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol?
The InChIKey is IOAJVQRGFCDAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-13-10-4-12(15-11(14-10)7-19-2)16-5-8(17)9(18)6-16/h4,8-9,17-18H,3,5-7H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol?
1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol has a molecular weight of 268.32 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).