1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol

C25H30N6O3 — CID 168923052

IUPAC1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol
SMILESCOc1c(Nc2ccncc2)nc(N2CCOCC2)nc1-c1cccc(N2CCC(O)CC2)c1
InChIInChI=1S/C25H30N6O3/c1-33-23-22(18-3-2-4-20(17-18)30-11-7-21(32)8-12-30)28-25(31-13-15-34-16-14-31)29-24(23)27-19-5-9-26-10-6-19/h2-6,9-10,17,21,32H,7-8,11-16H2,1H3,(H,26,27,28,29)
InChIKeyXCUGPTYRAOGDCE-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.09
Rot. Bonds6

About 1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol

1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol (PubChem CID 168923052) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol
PubChem CID168923052
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol
SMILESCOc1c(Nc2ccncc2)nc(N2CCOCC2)nc1-c1cccc(N2CCC(O)CC2)c1
InChIInChI=1S/C25H30N6O3/c1-33-23-22(18-3-2-4-20(17-18)30-11-7-21(32)8-12-30)28-25(31-13-15-34-16-14-31)29-24(23)27-19-5-9-26-10-6-19/h2-6,9-10,17,21,32H,7-8,11-16H2,1H3,(H,26,27,28,29)
InChIKeyXCUGPTYRAOGDCE-UHFFFAOYSA-N
XLogP3.09
TPSA95.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[5-methoxy-4-[3-(1-methylpyrazol-3-yl)phenyl]-6-(pyridin-4-ylamino)pyrimidin-2-yl]piperidin-3-ol
CID 168922820
6,7-dimethoxy-2-morpholin-4-yl-N-phenylquinazolin-4-amine
CID 71738609
6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 117084289
6-chloro-5-methoxy-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 168922781
2-(4-hydroxypiperidin-1-yl)-4-(4-morpholin-4-ylanilino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58494192
N-(4-methoxyphenyl)-6-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016776
5-[[bis(prop-2-enyl)amino]methyl]-6-(3-methoxyphenyl)-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine
CID 67182728
4-[3-(3-pyrazol-1-ylphenyl)-7-pyridin-4-yl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine
CID 168923687
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 22693013
(3-hydroxypyrrolidin-1-yl)-[3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanone;2,2,2-trifluoroacetic acid
CID 67385114
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
13-(1-methylpyrazol-3-yl)-4-morpholin-4-yl-N-pyridin-4-yl-8-oxa-3,5,12-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-6-amine
CID 168922859

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol (CID 168923052) is 1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol is COc1c(Nc2ccncc2)nc(N2CCOCC2)nc1-c1cccc(N2CCC(O)CC2)c1.
What is the InChIKey of 1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol?
The InChIKey is XCUGPTYRAOGDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-33-23-22(18-3-2-4-20(17-18)30-11-7-21(32)8-12-30)28-25(31-13-15-34-16-14-31)29-24(23)27-19-5-9-26-10-6-19/h2-6,9-10,17,21,32H,7-8,11-16H2,1H3,(H,26,27,28,29).
What are the key properties of 1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol?
1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol has a molecular weight of 462.55 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol is sourced from PubChem (CID 168923052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).