N-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide

C16H22N6O2 — CID 19144248

IUPACN-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOCCCNc1ncnc(Nc2ccc(NC(C)=O)cc2)c1N
InChIInChI=1S/C16H22N6O2/c1-11(23)21-12-4-6-13(7-5-12)22-16-14(17)15(19-10-20-16)18-8-3-9-24-2/h4-7,10H,3,8-9,17H2,1-2H3,(H,21,23)(H2,18,19,20,22)
InChIKeyXJAUITQUTLZMKE-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.21
Rot. Bonds8

About N-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 19144248) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID19144248
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOCCCNc1ncnc(Nc2ccc(NC(C)=O)cc2)c1N
InChIInChI=1S/C16H22N6O2/c1-11(23)21-12-4-6-13(7-5-12)22-16-14(17)15(19-10-20-16)18-8-3-9-24-2/h4-7,10H,3,8-9,17H2,1-2H3,(H,21,23)(H2,18,19,20,22)
InChIKeyXJAUITQUTLZMKE-UHFFFAOYSA-N
XLogP2.21
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3,4-dichlorophenyl)-6-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 22546817
N-[4-[[5-amino-6-[bis(2-methoxyethyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 19141681
methyl 4-[[5-amino-6-(butylamino)pyrimidin-4-yl]amino]benzoate
CID 19134865
methyl 4-[[5-amino-6-(hexadecylamino)pyrimidin-4-yl]amino]benzoate
CID 19142413
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide
CID 19144208
4-N-(4-butoxyphenyl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135400
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19144226
4-[[5-amino-6-(propylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19135535
N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19150657
N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153217
N-[4-[[5-amino-6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 22546092
N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide
CID 155799343

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 19144248) is N-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide is COCCCNc1ncnc(Nc2ccc(NC(C)=O)cc2)c1N.
What is the InChIKey of N-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is XJAUITQUTLZMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11(23)21-12-4-6-13(7-5-12)22-16-14(17)15(19-10-20-16)18-8-3-9-24-2/h4-7,10H,3,8-9,17H2,1-2H3,(H,21,23)(H2,18,19,20,22).
What are the key properties of N-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 2.21, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 19144248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).