1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one

C18H23N5O — CID 134707843

IUPAC1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one
SMILESCCN(C)c1cc(NCc2ccc(N3CCCC3=O)cc2)ncn1
InChIInChI=1S/C18H23N5O/c1-3-22(2)17-11-16(20-13-21-17)19-12-14-6-8-15(9-7-14)23-10-4-5-18(23)24/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,19,20,21)
InChIKeyKBXJSPJCCZGOLK-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.67
Rot. Bonds6

About 1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one

1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one (PubChem CID 134707843) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one
PubChem CID134707843
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one
SMILESCCN(C)c1cc(NCc2ccc(N3CCCC3=O)cc2)ncn1
InChIInChI=1S/C18H23N5O/c1-3-22(2)17-11-16(20-13-21-17)19-12-14-6-8-15(9-7-14)23-10-4-5-18(23)24/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,19,20,21)
InChIKeyKBXJSPJCCZGOLK-UHFFFAOYSA-N
XLogP2.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]methyl]phenyl]pyrrolidin-2-one
CID 134714236
1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
CID 28658925
5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358833
1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 110914080
1-[4-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 135108946
1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 137344435
1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 17489033
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
CID 62758405
6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133345456
1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one
CID 66398416
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide
CID 64990546

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one (CID 134707843) is 1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one is CCN(C)c1cc(NCc2ccc(N3CCCC3=O)cc2)ncn1.
What is the InChIKey of 1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is KBXJSPJCCZGOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-22(2)17-11-16(20-13-21-17)19-12-14-6-8-15(9-7-14)23-10-4-5-18(23)24/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,19,20,21).
What are the key properties of 1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one?
1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 325.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 134707843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).