2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate

C11H14N5O4P — CID 139686414

IUPAC2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate
SMILESNc1nccc(-c2ccnc(NCCOP(=O)(O)O)c2)n1
InChIInChI=1S/C11H14N5O4P/c12-11-15-4-2-9(16-11)8-1-3-13-10(7-8)14-5-6-20-21(17,18)19/h1-4,7H,5-6H2,(H,13,14)(H2,12,15,16)(H2,17,18,19)
InChIKeyUOEZVYJFBDZLED-UHFFFAOYSA-N
MW311.24 g/mol
LogP0.64
Rot. Bonds6

About 2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate

2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate (PubChem CID 139686414) has the molecular formula C11H14N5O4P and a molecular weight of 311.24 g/mol. Its IUPAC name is 2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate
PubChem CID139686414
Molecular FormulaC11H14N5O4P
Molecular Weight311.24 g/mol
Exact Mass311.08
IUPAC Name2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate
SMILESNc1nccc(-c2ccnc(NCCOP(=O)(O)O)c2)n1
InChIInChI=1S/C11H14N5O4P/c12-11-15-4-2-9(16-11)8-1-3-13-10(7-8)14-5-6-20-21(17,18)19/h1-4,7H,5-6H2,(H,13,14)(H2,12,15,16)(H2,17,18,19)
InChIKeyUOEZVYJFBDZLED-UHFFFAOYSA-N
XLogP0.64
TPSA143.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-ethoxyethyl)pyrimidine-2,4-diamine
CID 80792890
2-[2-[(4-amino-2-pyridinyl)amino]ethoxy]acetamide
CID 106234601
4-(3-aminophenyl)pyrimidin-2-amine
CID 55250731
4-(2-aminopyrimidin-4-yl)-2-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]phenol
CID 171853450
2-[2-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]amino]ethyl]guanidine
CID 140967082
4-(6-amino-3-pyridinyl)pyrimidin-2-amine
CID 130204719
3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 19689540
3-[[4-[2-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 19689535
methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929213
4-(3-but-3-enoxyphenyl)pyrimidin-2-amine
CID 142696181
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
4-(5-bromo-3-pyridinyl)pyrimidin-2-amine
CID 53426314

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate?
The IUPAC name of 2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate (CID 139686414) is 2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate is Nc1nccc(-c2ccnc(NCCOP(=O)(O)O)c2)n1.
What is the InChIKey of 2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate?
The InChIKey is UOEZVYJFBDZLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N5O4P/c12-11-15-4-2-9(16-11)8-1-3-13-10(7-8)14-5-6-20-21(17,18)19/h1-4,7H,5-6H2,(H,13,14)(H2,12,15,16)(H2,17,18,19).
What are the key properties of 2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate?
2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate has a molecular weight of 311.24 g/mol, XLogP of 0.64, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-aminopyrimidin-4-yl)-2-pyridinyl]amino]ethyl dihydrogen phosphate is sourced from PubChem (CID 139686414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).