5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C24H30N6O4 — CID 155590542

IUPAC5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCOc1c(C(=O)Nc2cnoc2)nc(N(C)C(c2ccccc2)C2CCN(C)CC2)n(C)c1=O
InChIInChI=1S/C24H30N6O4/c1-28-12-10-17(11-13-28)20(16-8-6-5-7-9-16)29(2)24-27-19(21(33-4)23(32)30(24)3)22(31)26-18-14-25-34-15-18/h5-9,14-15,17,20H,10-13H2,1-4H3,(H,26,31)
InChIKeyUCQRAXMKWKFWAS-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.55
Rot. Bonds7

About 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 155590542) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID155590542
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Name5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCOc1c(C(=O)Nc2cnoc2)nc(N(C)C(c2ccccc2)C2CCN(C)CC2)n(C)c1=O
InChIInChI=1S/C24H30N6O4/c1-28-12-10-17(11-13-28)20(16-8-6-5-7-9-16)29(2)24-27-19(21(33-4)23(32)30(24)3)22(31)26-18-14-25-34-15-18/h5-9,14-15,17,20H,10-13H2,1-4H3,(H,26,31)
InChIKeyUCQRAXMKWKFWAS-UHFFFAOYSA-N
XLogP2.55
TPSA105.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 155590542) is 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is COc1c(C(=O)Nc2cnoc2)nc(N(C)C(c2ccccc2)C2CCN(C)CC2)n(C)c1=O.
What is the InChIKey of 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is UCQRAXMKWKFWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-28-12-10-17(11-13-28)20(16-8-6-5-7-9-16)29(2)24-27-19(21(33-4)23(32)30(24)3)22(31)26-18-14-25-34-15-18/h5-9,14-15,17,20H,10-13H2,1-4H3,(H,26,31).
What are the key properties of 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-2-[methyl-[(1-methylpiperidin-4-yl)-phenylmethyl]amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 155590542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).