2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol

C8H13N3O3 — CID 66327855

IUPAC2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol
SMILESCOc1cc(NC(CO)CO)ncn1
InChIInChI=1S/C8H13N3O3/c1-14-8-2-7(9-5-10-8)11-6(3-12)4-13/h2,5-6,12-13H,3-4H2,1H3,(H,9,10,11)
InChIKeyFGUJDKCXWPMDDU-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.75
Rot. Bonds5

About 2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol

2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol (PubChem CID 66327855) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol
PubChem CID66327855
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol
SMILESCOc1cc(NC(CO)CO)ncn1
InChIInChI=1S/C8H13N3O3/c1-14-8-2-7(9-5-10-8)11-6(3-12)4-13/h2,5-6,12-13H,3-4H2,1H3,(H,9,10,11)
InChIKeyFGUJDKCXWPMDDU-UHFFFAOYSA-N
XLogP-0.75
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-N-pentan-3-ylpyrimidin-4-amine
CID 66325775
4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol
CID 106162039
3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 66327238
2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
CID 66318731
N-(1-cyclopropylbutan-2-yl)-6-methoxypyrimidin-4-amine
CID 66324981
methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-3-hydroxypropanoate
CID 66320574
3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157111
N-hex-1-yn-3-yl-6-methoxypyrimidin-4-amine
CID 106231578
N-tert-butyl-2-[(6-methoxypyrimidin-4-yl)amino]propanamide
CID 113407899
N-ethyl-2-[(6-methoxypyrimidin-4-yl)amino]acetamide
CID 66327427
6-methoxy-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 66325791
3-methoxy-2-[(2-methoxy-4-pyridinyl)amino]propan-1-ol
CID 106186414

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol (CID 66327855) is 2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol is COc1cc(NC(CO)CO)ncn1.
What is the InChIKey of 2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol?
The InChIKey is FGUJDKCXWPMDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-14-8-2-7(9-5-10-8)11-6(3-12)4-13/h2,5-6,12-13H,3-4H2,1H3,(H,9,10,11).
What are the key properties of 2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol?
2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol has a molecular weight of 199.21 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol is sourced from PubChem (CID 66327855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).