N-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid

C17H22N5O2P — CID 165397879

IUPACN-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid
SMILESCNC=O.Cc1c[nH]c2c(NCc3ccc(CPO)cc3)ncnc12
InChIInChI=1S/C15H17N4OP.C2H5NO/c1-10-6-16-14-13(10)18-9-19-15(14)17-7-11-2-4-12(5-3-11)8-21-20;1-3-2-4/h2-6,9,16,20-21H,7-8H2,1H3,(H,17,18,19);2H,1H3,(H,3,4)
InChIKeyADYQVNPXQRRWEF-UHFFFAOYSA-N
MW359.37 g/mol
LogP2.33
Rot. Bonds6

About N-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid

N-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid (PubChem CID 165397879) has the molecular formula C17H22N5O2P and a molecular weight of 359.37 g/mol. Its IUPAC name is N-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid.

Molecular Properties

Compound NameN-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid
PubChem CID165397879
Molecular FormulaC17H22N5O2P
Molecular Weight359.37 g/mol
Exact Mass359.15
IUPAC NameN-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid
SMILESCNC=O.Cc1c[nH]c2c(NCc3ccc(CPO)cc3)ncnc12
InChIInChI=1S/C15H17N4OP.C2H5NO/c1-10-6-16-14-13(10)18-9-19-15(14)17-7-11-2-4-12(5-3-11)8-21-20;1-3-2-4/h2-6,9,16,20-21H,7-8H2,1H3,(H,17,18,19);2H,1H3,(H,3,4)
InChIKeyADYQVNPXQRRWEF-UHFFFAOYSA-N
XLogP2.33
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetaldehyde;[4-[[[7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 165130533
4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 123540887
5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106900980
7-methyl-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686243
ethyl 2-[6-(benzylamino)purin-9-yl]acetate
CID 172815770
N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686195
9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine
CID 163348607
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
CID 60965843
ethyl 6-(benzylamino)-7H-purine-8-carboxylate
CID 89439448
9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine
CID 155980707
4-[[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid
CID 110430514

Frequently Asked Questions

What is the IUPAC name of N-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid?
The IUPAC name of N-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid (CID 165397879) is N-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid.
What is the SMILES notation for N-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid?
The canonical SMILES for N-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid is CNC=O.Cc1c[nH]c2c(NCc3ccc(CPO)cc3)ncnc12.
What is the InChIKey of N-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid?
The InChIKey is ADYQVNPXQRRWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N4OP.C2H5NO/c1-10-6-16-14-13(10)18-9-19-15(14)17-7-11-2-4-12(5-3-11)8-21-20;1-3-2-4/h2-6,9,16,20-21H,7-8H2,1H3,(H,17,18,19);2H,1H3,(H,3,4).
What are the key properties of N-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid?
N-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid has a molecular weight of 359.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylformamide;[4-[[(7-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]phenyl]methylphosphinous acid is sourced from PubChem (CID 165397879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).