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

C6H8N3O4P-2 — CID 25244846

IUPAC(4-amino-2-methylpyrimidin-5-yl)methyl 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)/p-2
InChIKeyPKYFHKIYHBRTPI-UHFFFAOYSA-L
MW217.12 g/mol
LogP-1.29
Rot. Bonds3

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

(4-amino-2-methylpyrimidin-5-yl)methyl phosphate (PubChem CID 25244846) has the molecular formula C6H8N3O4P-2 and a molecular weight of 217.12 g/mol. Its IUPAC name is (4-amino-2-methylpyrimidin-5-yl)methyl phosphate.

Molecular Properties

Compound Name(4-amino-2-methylpyrimidin-5-yl)methyl phosphate
PubChem CID25244846
Molecular FormulaC6H8N3O4P-2
Molecular Weight217.12 g/mol
Exact Mass217.03
IUPAC Name(4-amino-2-methylpyrimidin-5-yl)methyl 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)/p-2
InChIKeyPKYFHKIYHBRTPI-UHFFFAOYSA-L
XLogP-1.29
TPSA124.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.12
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methyl-5-phosphomethylpyrimidine
CID 216
(4-Amino-2-methylpyrimidin-5-yl)methyl trihydrogen diphosphate
CID 217
5-(Ethoxymethyl)-2-methyl-4-pyrimidinamine
CID 66149
2,4-Diamino-5-methoxymethylpyrimidine
CID 14983719
4-Amino-2-methyl-5-(diphosphooxymethyl)pyrimidine
CID 25245586
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

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpyrimidin-5-yl)methyl phosphate?
The IUPAC name of (4-amino-2-methylpyrimidin-5-yl)methyl phosphate (CID 25244846) is (4-amino-2-methylpyrimidin-5-yl)methyl phosphate.
What is the SMILES notation for (4-amino-2-methylpyrimidin-5-yl)methyl phosphate?
The canonical SMILES for (4-amino-2-methylpyrimidin-5-yl)methyl phosphate is Cc1ncc(COP(=O)([O-])[O-])c(N)n1.
What is the InChIKey of (4-amino-2-methylpyrimidin-5-yl)methyl phosphate?
The InChIKey is PKYFHKIYHBRTPI-UHFFFAOYSA-L. 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)/p-2.
What are the key properties of (4-amino-2-methylpyrimidin-5-yl)methyl phosphate?
(4-amino-2-methylpyrimidin-5-yl)methyl phosphate has a molecular weight of 217.12 g/mol, XLogP of -1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpyrimidin-5-yl)methyl phosphate is sourced from PubChem (CID 25244846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).