7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione

C18H26N4O3 — CID 66509726

IUPAC7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(C)c(=O)c2ccc(C3CCC(CN)CC3)nc21
InChIInChI=1S/C18H26N4O3/c1-21-17(23)14-7-8-15(13-5-3-12(11-19)4-6-13)20-16(14)22(18(21)24)9-10-25-2/h7-8,12-13H,3-6,9-11,19H2,1-2H3
InChIKeyXQIXJNUFIAPIFQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.97
Rot. Bonds5

About 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione

7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 66509726) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID66509726
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(C)c(=O)c2ccc(C3CCC(CN)CC3)nc21
InChIInChI=1S/C18H26N4O3/c1-21-17(23)14-7-8-15(13-5-3-12(11-19)4-6-13)20-16(14)22(18(21)24)9-10-25-2/h7-8,12-13H,3-6,9-11,19H2,1-2H3
InChIKeyXQIXJNUFIAPIFQ-UHFFFAOYSA-N
XLogP0.97
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione (CID 66509726) is 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione is COCCn1c(=O)n(C)c(=O)c2ccc(C3CCC(CN)CC3)nc21.
What is the InChIKey of 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XQIXJNUFIAPIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-21-17(23)14-7-8-15(13-5-3-12(11-19)4-6-13)20-16(14)22(18(21)24)9-10-25-2/h7-8,12-13H,3-6,9-11,19H2,1-2H3.
What are the key properties of 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione?
7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 346.43 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 66509726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).