1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one

C19H25N5O2 — CID 11451117

IUPAC1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cc2c(NC3CCCCC3)ncnc2cn1
InChIInChI=1S/C19H25N5O2/c25-18-7-4-8-24(18)9-10-26-17-11-15-16(12-20-17)21-13-22-19(15)23-14-5-2-1-3-6-14/h11-14H,1-10H2,(H,21,22,23)
InChIKeyQTADKBWBFMMERU-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.77
Rot. Bonds6

About 1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one

1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 11451117) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one
PubChem CID11451117
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1cc2c(NC3CCCCC3)ncnc2cn1
InChIInChI=1S/C19H25N5O2/c25-18-7-4-8-24(18)9-10-26-17-11-15-16(12-20-17)21-13-22-19(15)23-14-5-2-1-3-6-14/h11-14H,1-10H2,(H,21,22,23)
InChIKeyQTADKBWBFMMERU-UHFFFAOYSA-N
XLogP2.77
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Leniolisib
CID 57495353
Dsr-6434
CID 25071151
N-cycloheptyl-6-(2-morpholinoethoxy)pyrido[3,4-d]pyrimidin-4-amine
CID 11337722
6-amino-2-(butylamino)-9-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]-7H-purin-8-one
CID 25071149
(S)-(3-((6-(6-Methoxy-5-methylpyridin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)oxy)pyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 56599298
1-[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 57495355
[(3S)-3-[[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 66653673
[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 66677439
1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 145969468
[(3S)-3-[[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 145987952
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-(2-methoxyethoxy)-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146197393
2-(4-(Cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yloxy)ethanol
CID 44592032

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one (CID 11451117) is 1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1cc2c(NC3CCCCC3)ncnc2cn1.
What is the InChIKey of 1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is QTADKBWBFMMERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c25-18-7-4-8-24(18)9-10-26-17-11-15-16(12-20-17)21-13-22-19(15)23-14-5-2-1-3-6-14/h11-14H,1-10H2,(H,21,22,23).
What are the key properties of 1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one?
1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 355.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 11451117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).