1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol

C12H20N4O2 — CID 106673886

IUPAC1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
SMILESCCNc1cc(C)nc(CN2CC(O)C(O)C2)n1
InChIInChI=1S/C12H20N4O2/c1-3-13-11-4-8(2)14-12(15-11)7-16-5-9(17)10(18)6-16/h4,9-10,17-18H,3,5-7H2,1-2H3,(H,13,14,15)
InChIKeyNXBIADYKJUSGPZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.25
Rot. Bonds4

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

1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol (PubChem CID 106673886) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
PubChem CID106673886
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
SMILESCCNc1cc(C)nc(CN2CC(O)C(O)C2)n1
InChIInChI=1S/C12H20N4O2/c1-3-13-11-4-8(2)14-12(15-11)7-16-5-9(17)10(18)6-16/h4,9-10,17-18H,3,5-7H2,1-2H3,(H,13,14,15)
InChIKeyNXBIADYKJUSGPZ-UHFFFAOYSA-N
XLogP-0.25
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657810
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-3-methylpiperidin-4-ol
CID 114681757
N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 103502321
2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658081
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657151
N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 103538592
5-[(dimethylamino)methyl]-1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 80657467
N-ethyl-6-methyl-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidin-4-amine
CID 102745668
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 81464110
3-[[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl-methylamino]methyl]cyclobutan-1-ol
CID 80656901
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 80657132
2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80657624

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol (CID 106673886) is 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol is CCNc1cc(C)nc(CN2CC(O)C(O)C2)n1.
What is the InChIKey of 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol?
The InChIKey is NXBIADYKJUSGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-13-11-4-8(2)14-12(15-11)7-16-5-9(17)10(18)6-16/h4,9-10,17-18H,3,5-7H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol?
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol has a molecular weight of 252.32 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106673886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).