1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol

C12H20N4O2 — CID 106674605

IUPAC1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol
SMILESCc1c(N)nc(C(C)C)nc1N1CC(O)C(O)C1
InChIInChI=1S/C12H20N4O2/c1-6(2)11-14-10(13)7(3)12(15-11)16-4-8(17)9(18)5-16/h6,8-9,17-18H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyTWTRBTHVHXEXAP-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.03
Rot. Bonds2

About 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol

1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol (PubChem CID 106674605) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol
PubChem CID106674605
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol
SMILESCc1c(N)nc(C(C)C)nc1N1CC(O)C(O)C1
InChIInChI=1S/C12H20N4O2/c1-6(2)11-14-10(13)7(3)12(15-11)16-4-8(17)9(18)5-16/h6,8-9,17-18H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyTWTRBTHVHXEXAP-UHFFFAOYSA-N
XLogP0.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol (CID 106674605) is 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol is Cc1c(N)nc(C(C)C)nc1N1CC(O)C(O)C1.
What is the InChIKey of 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol?
The InChIKey is TWTRBTHVHXEXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-6(2)11-14-10(13)7(3)12(15-11)16-4-8(17)9(18)5-16/h6,8-9,17-18H,4-5H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol?
1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol has a molecular weight of 252.32 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106674605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).