(4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate

C6H10N3O4P — CID 216

IUPAC(4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate
SMILESCc1ncc(COP(=O)(O)O)c(N)n1
InChIInChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12)
InChIKeyPKYFHKIYHBRTPI-UHFFFAOYSA-N
MW219.14 g/mol
LogP-0.02
Rot. Bonds3

About (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate

(4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate (PubChem CID 216) has the molecular formula C6H10N3O4P and a molecular weight of 219.14 g/mol. Its IUPAC name is (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate.

Molecular Properties

Compound Name(4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate
PubChem CID216
Molecular FormulaC6H10N3O4P
Molecular Weight219.14 g/mol
Exact Mass219.04
IUPAC Name(4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate
SMILESCc1ncc(COP(=O)(O)O)c(N)n1
InChIInChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12)
InChIKeyPKYFHKIYHBRTPI-UHFFFAOYSA-N
XLogP-0.02
TPSA118.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.14
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanol
CID 777
4-Amino-2-methoxy-5-pyrimidinemethanol
CID 96318
(4-Amino-2-methylpyrimidin-5-yl)methyl trihydrogen diphosphate
CID 217
5-(Ethoxymethyl)-2-methyl-4-pyrimidinamine
CID 66149
4-Amino-2-methyl-5-(diphosphooxymethyl)pyrimidine
CID 25245586
4-Amino-2-methyl-5-phosphonatooxymethylpyrimidine(2-)
CID 25244846
4-Amino-5-methoxymethyl-2-methylpyrimidine
CID 2305652
Toxopyrimidine hydrochloride
CID 12359174
4-Amino-2-trifluoromethyl-5-hydroxymethylpyrimidine pyrophosphate
CID 1722
(2-Methylpyrimidin-5-yl)methanol
CID 14686706
4-Amino-2-methoxy-5-hydroxymethylpyrimidine pyrophosphate
CID 46173469
Diethoxy-(5-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane
CID 12873622

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate?
The IUPAC name of (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate (CID 216) is (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate.
What is the SMILES notation for (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate?
The canonical SMILES for (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate is Cc1ncc(COP(=O)(O)O)c(N)n1.
What is the InChIKey of (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate?
The InChIKey is PKYFHKIYHBRTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12).
What are the key properties of (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate?
(4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate has a molecular weight of 219.14 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate is sourced from PubChem (CID 216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).