N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide

C19H22N6O — CID 122325817

IUPACN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)Cn3cccc3)cc2)n1
InChIInChI=1S/C19H22N6O/c1-3-20-19-21-14(2)12-17(24-19)22-15-6-8-16(9-7-15)23-18(26)13-25-10-4-5-11-25/h4-12H,3,13H2,1-2H3,(H,23,26)(H2,20,21,22,24)
InChIKeyNSUKFWQSTDKYFI-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.40
Rot. Bonds7

About N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide

N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide (PubChem CID 122325817) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide
PubChem CID122325817
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide
SMILESCCNc1nc(C)cc(Nc2ccc(NC(=O)Cn3cccc3)cc2)n1
InChIInChI=1S/C19H22N6O/c1-3-20-19-21-14(2)12-17(24-19)22-15-6-8-16(9-7-15)23-18(26)13-25-10-4-5-11-25/h4-12H,3,13H2,1-2H3,(H,23,26)(H2,20,21,22,24)
InChIKeyNSUKFWQSTDKYFI-UHFFFAOYSA-N
XLogP3.40
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]furan-3-carboxamide
CID 122325764
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]indolizine-2-carboxamide
CID 122325822
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide
CID 122325653
3-chloro-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 53047804
1-(2-chlorophenyl)-3-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]urea
CID 53047962
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-fluorobenzamide
CID 53047801
1-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methylsulfanylphenyl)urea
CID 56921997
1-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122325657
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]propanamide
CID 122325701
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1,2-oxazole-5-carboxamide
CID 122325693
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122325725
(E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 122325645

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide?
The IUPAC name of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide (CID 122325817) is N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide is CCNc1nc(C)cc(Nc2ccc(NC(=O)Cn3cccc3)cc2)n1.
What is the InChIKey of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide?
The InChIKey is NSUKFWQSTDKYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-3-20-19-21-14(2)12-17(24-19)22-15-6-8-16(9-7-15)23-18(26)13-25-10-4-5-11-25/h4-12H,3,13H2,1-2H3,(H,23,26)(H2,20,21,22,24).
What are the key properties of N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide?
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide has a molecular weight of 350.43 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 122325817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).