[4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone

C22H26N6O2 — CID 170692829

IUPAC[4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone
SMILESCc1nc(C(=O)N2CCOCC2c2ccccc2)nc(NCCc2cn[nH]c2)c1C
InChIInChI=1S/C22H26N6O2/c1-15-16(2)26-21(27-20(15)23-9-8-17-12-24-25-13-17)22(29)28-10-11-30-14-19(28)18-6-4-3-5-7-18/h3-7,12-13,19H,8-11,14H2,1-2H3,(H,24,25)(H,23,26,27)
InChIKeyPJMVVZPJKXWGBS-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.68
Rot. Bonds6

About [4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone

[4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone (PubChem CID 170692829) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is [4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone
PubChem CID170692829
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name[4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone
SMILESCc1nc(C(=O)N2CCOCC2c2ccccc2)nc(NCCc2cn[nH]c2)c1C
InChIInChI=1S/C22H26N6O2/c1-15-16(2)26-21(27-20(15)23-9-8-17-12-24-25-13-17)22(29)28-10-11-30-14-19(28)18-6-4-3-5-7-18/h3-7,12-13,19H,8-11,14H2,1-2H3,(H,24,25)(H,23,26,27)
InChIKeyPJMVVZPJKXWGBS-UHFFFAOYSA-N
XLogP2.68
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4,4-difluoro-2-phenylpiperidin-1-yl)-[4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]methanone
CID 164552944
4,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)ethyl]-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
CID 164552930
N-[1-(3-fluorophenyl)-2-methylpropan-2-yl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
CID 164552975
N-[2-(3-fluoro-4-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
CID 164552921
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
N-[(1R)-1-(3-methoxy-2-pyridinyl)ethyl]-4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidine-2-carboxamide
CID 164552937
[(3S)-3-phenylmorpholin-4-yl]-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]methanone
CID 178095206
[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone
CID 71866643
(4-fluorophenyl)-(3-phenylmorpholin-4-yl)methanone
CID 110728336
N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide
CID 110748599
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenylmorpholine-4-carboxamide
CID 71870397
2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119337230

Frequently Asked Questions

What is the IUPAC name of [4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone?
The IUPAC name of [4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone (CID 170692829) is [4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for [4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone?
The canonical SMILES for [4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone is Cc1nc(C(=O)N2CCOCC2c2ccccc2)nc(NCCc2cn[nH]c2)c1C.
What is the InChIKey of [4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone?
The InChIKey is PJMVVZPJKXWGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-16(2)26-21(27-20(15)23-9-8-17-12-24-25-13-17)22(29)28-10-11-30-14-19(28)18-6-4-3-5-7-18/h3-7,12-13,19H,8-11,14H2,1-2H3,(H,24,25)(H,23,26,27).
What are the key properties of [4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone?
[4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone has a molecular weight of 406.49 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dimethyl-6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-2-yl]-(3-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 170692829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).