N-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide

C17H23N7O — CID 19138291

IUPACN-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncnc(N3CCN(C)CC3)c2N)cc1
InChIInChI=1S/C17H23N7O/c1-12(25)21-13-3-5-14(6-4-13)22-16-15(18)17(20-11-19-16)24-9-7-23(2)8-10-24/h3-6,11H,7-10,18H2,1-2H3,(H,21,25)(H,19,20,22)
InChIKeyQFJUZJRNEGCJON-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.51
Rot. Bonds4

About N-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 19138291) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID19138291
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncnc(N3CCN(C)CC3)c2N)cc1
InChIInChI=1S/C17H23N7O/c1-12(25)21-13-3-5-14(6-4-13)22-16-15(18)17(20-11-19-16)24-9-7-23(2)8-10-24/h3-6,11H,7-10,18H2,1-2H3,(H,21,25)(H,19,20,22)
InChIKeyQFJUZJRNEGCJON-UHFFFAOYSA-N
XLogP1.51
TPSA99.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide (CID 19138291) is N-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ncnc(N3CCN(C)CC3)c2N)cc1.
What is the InChIKey of N-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is QFJUZJRNEGCJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-12(25)21-13-3-5-14(6-4-13)22-16-15(18)17(20-11-19-16)24-9-7-23(2)8-10-24/h3-6,11H,7-10,18H2,1-2H3,(H,21,25)(H,19,20,22).
What are the key properties of N-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 19138291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).