phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

C19H18N6O — CID 127252097

IUPACphenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(c2ccnc(Nc3ncccn3)n2)C1
InChIInChI=1S/C19H18N6O/c26-17(14-5-2-1-3-6-14)25-12-8-15(13-25)16-7-11-22-19(23-16)24-18-20-9-4-10-21-18/h1-7,9-11,15H,8,12-13H2,(H,20,21,22,23,24)
InChIKeySBWGBXGRKOKKHW-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.64
Rot. Bonds4

About phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone (PubChem CID 127252097) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
PubChem CID127252097
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Namephenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(c2ccnc(Nc3ncccn3)n2)C1
InChIInChI=1S/C19H18N6O/c26-17(14-5-2-1-3-6-14)25-12-8-15(13-25)16-7-11-22-19(23-16)24-18-20-9-4-10-21-18/h1-7,9-11,15H,8,12-13H2,(H,20,21,22,23,24)
InChIKeySBWGBXGRKOKKHW-UHFFFAOYSA-N
XLogP2.64
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 127252094
[(3S)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95837440
3-phenyl-1-[(3S)-3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125017259
2-cyclopentyl-1-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 127252138
2-cyclopentyl-1-[(3S)-3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 125001841
phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110094434
(4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267189
2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride
CID 171687270
cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 155902293
2-phenoxy-1-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 127252112
3-phenyl-1-[(3R)-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 124947397
1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124999663

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone (CID 127252097) is phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone is O=C(c1ccccc1)N1CCC(c2ccnc(Nc3ncccn3)n2)C1.
What is the InChIKey of phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The InChIKey is SBWGBXGRKOKKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c26-17(14-5-2-1-3-6-14)25-12-8-15(13-25)16-7-11-22-19(23-16)24-18-20-9-4-10-21-18/h1-7,9-11,15H,8,12-13H2,(H,20,21,22,23,24).
What are the key properties of phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone has a molecular weight of 346.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 127252097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).