1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol

C8H12N4O2 — CID 106674394

IUPAC1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol
SMILESNc1cc(N2CC(O)C(O)C2)ncn1
InChIInChI=1S/C8H12N4O2/c9-7-1-8(11-4-10-7)12-2-5(13)6(14)3-12/h1,4-6,13-14H,2-3H2,(H2,9,10,11)
InChIKeyNGZYMKSYGRZEDB-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.40
Rot. Bonds1

About 1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol

1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol (PubChem CID 106674394) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol
PubChem CID106674394
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol
SMILESNc1cc(N2CC(O)C(O)C2)ncn1
InChIInChI=1S/C8H12N4O2/c9-7-1-8(11-4-10-7)12-2-5(13)6(14)3-12/h1,4-6,13-14H,2-3H2,(H2,9,10,11)
InChIKeyNGZYMKSYGRZEDB-UHFFFAOYSA-N
XLogP-1.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-4-amine
CID 121206002
6-[3-(trifluoromethyl)azetidin-1-yl]pyrimidin-4-amine
CID 129261237
6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrimidin-4-amine
CID 81470283
6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 78929973
6-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-amine
CID 114561957
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 170957533
6-thiomorpholin-4-ylpyrimidin-4-amine
CID 13394191
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxamide
CID 78929761
(3aS,6R,6aR)-1-(6-aminopyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-ol
CID 166260486
2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]ethanol
CID 121206000
1-[6-(ethylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674454
6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 78929987

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol (CID 106674394) is 1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol is Nc1cc(N2CC(O)C(O)C2)ncn1.
What is the InChIKey of 1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol?
The InChIKey is NGZYMKSYGRZEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-7-1-8(11-4-10-7)12-2-5(13)6(14)3-12/h1,4-6,13-14H,2-3H2,(H2,9,10,11).
What are the key properties of 1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol?
1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol has a molecular weight of 196.21 g/mol, XLogP of -1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyrimidin-4-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106674394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).