1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone

C18H24N4O — CID 112864526

IUPAC1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCCCN(CCC)c1cc(Nc2ccc(C(C)=O)cc2)ncn1
InChIInChI=1S/C18H24N4O/c1-4-10-22(11-5-2)18-12-17(19-13-20-18)21-16-8-6-15(7-9-16)14(3)23/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeyZRCGBEZSEYHQRU-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.05
Rot. Bonds8

About 1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone

1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone (PubChem CID 112864526) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone
PubChem CID112864526
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone
SMILESCCCN(CCC)c1cc(Nc2ccc(C(C)=O)cc2)ncn1
InChIInChI=1S/C18H24N4O/c1-4-10-22(11-5-2)18-12-17(19-13-20-18)21-16-8-6-15(7-9-16)14(3)23/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeyZRCGBEZSEYHQRU-UHFFFAOYSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]benzoate
CID 112864531
1-[4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866665
ethyl 4-[[6-(diethylamino)pyrimidin-4-yl]amino]benzoate
CID 112863541
methyl 4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]benzoate
CID 112866670
1-[4-[[6-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866700
1-[3-[[6-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112860525
6-hydrazinyl-N,N-dipropylpyrimidin-4-amine
CID 80932802
1-[4-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112854815
6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351695
1-[4-[[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866685
6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109357483
6-[4-(diethylamino)anilino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109355395

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone (CID 112864526) is 1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone is CCCN(CCC)c1cc(Nc2ccc(C(C)=O)cc2)ncn1.
What is the InChIKey of 1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone?
The InChIKey is ZRCGBEZSEYHQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-10-22(11-5-2)18-12-17(19-13-20-18)21-16-8-6-15(7-9-16)14(3)23/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of 1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone?
1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone has a molecular weight of 312.42 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(dipropylamino)pyrimidin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 112864526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).