4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol

C9H16N4O2 — CID 171881061

IUPAC4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol
SMILESCc1nc(N)ncc1C(O)C(O)CCN
InChIInChI=1S/C9H16N4O2/c1-5-6(4-12-9(11)13-5)8(15)7(14)2-3-10/h4,7-8,14-15H,2-3,10H2,1H3,(H2,11,12,13)
InChIKeyFRQOBAGJSFFEQE-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.89
Rot. Bonds4

About 4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol

4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol (PubChem CID 171881061) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol
PubChem CID171881061
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol
SMILESCc1nc(N)ncc1C(O)C(O)CCN
InChIInChI=1S/C9H16N4O2/c1-5-6(4-12-9(11)13-5)8(15)7(14)2-3-10/h4,7-8,14-15H,2-3,10H2,1H3,(H2,11,12,13)
InChIKeyFRQOBAGJSFFEQE-UHFFFAOYSA-N
XLogP-0.89
TPSA118.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol
CID 170817665
4-amino-1-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]butane-1,2-diol
CID 171881977
4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol
CID 171880918
3-amino-1-(2-chloro-4-methylpyrimidin-5-yl)propane-1,2-diol
CID 170827687
N-[4-(2-amino-4-chloropyrimidin-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171882852
4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol
CID 171880754
1-(2-amino-4-chloropyrimidin-5-yl)-4-sulfanylbutane-1,2-diol
CID 171873895
S-[4-(2-amino-4-chloropyrimidin-5-yl)-3,4-dihydroxybutyl] ethanethioate
CID 171875687
methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171881890
4-amino-1-(2-amino-3,5-dimethylphenyl)butane-1,2-diol
CID 171881305
1-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]butane-1,2,4-triol
CID 171873020
1-(5,6-diamino-2-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872435

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol (CID 171881061) is 4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol is Cc1nc(N)ncc1C(O)C(O)CCN.
What is the InChIKey of 4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol?
The InChIKey is FRQOBAGJSFFEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-5-6(4-12-9(11)13-5)8(15)7(14)2-3-10/h4,7-8,14-15H,2-3,10H2,1H3,(H2,11,12,13).
What are the key properties of 4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol?
4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol has a molecular weight of 212.25 g/mol, XLogP of -0.89, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol is sourced from PubChem (CID 171881061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).