[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone

C21H27N5O2 — CID 134799885

IUPAC[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(Nc2ccnc(N3CCCC(C(=O)N4CCOCC4)C3)n2)cc1
InChIInChI=1S/C21H27N5O2/c1-16-4-6-18(7-5-16)23-19-8-9-22-21(24-19)26-10-2-3-17(15-26)20(27)25-11-13-28-14-12-25/h4-9,17H,2-3,10-15H2,1H3,(H,22,23,24)
InChIKeyNNRXPTOXQCVDER-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.60
Rot. Bonds4

About [1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 134799885) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is [1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID134799885
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(Nc2ccnc(N3CCCC(C(=O)N4CCOCC4)C3)n2)cc1
InChIInChI=1S/C21H27N5O2/c1-16-4-6-18(7-5-16)23-19-8-9-22-21(24-19)26-10-2-3-17(15-26)20(27)25-11-13-28-14-12-25/h4-9,17H,2-3,10-15H2,1H3,(H,22,23,24)
InChIKeyNNRXPTOXQCVDER-UHFFFAOYSA-N
XLogP2.60
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 134798553
[(3S)-1-[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95509656
1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 134802244
N-(2-methoxyethyl)-1-[4-(4-methylanilino)pyrimidin-2-yl]piperidine-3-carboxamide
CID 134801627
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56864340
morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 72847566
N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223383
2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112901130
[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155975861
[4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 134796845
1-[4-(4-methoxyanilino)pyrimidin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 134799744
morpholin-4-yl-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanone
CID 165434652

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 134799885) is [1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone is Cc1ccc(Nc2ccnc(N3CCCC(C(=O)N4CCOCC4)C3)n2)cc1.
What is the InChIKey of [1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is NNRXPTOXQCVDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-4-6-18(7-5-16)23-19-8-9-22-21(24-19)26-10-2-3-17(15-26)20(27)25-11-13-28-14-12-25/h4-9,17H,2-3,10-15H2,1H3,(H,22,23,24).
What are the key properties of [1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 381.48 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134799885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).