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

C18H27ClN4O3 — CID 71298901

IUPAC7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCOCCn1c(=O)n(C)c(=O)c2ccc(C3CCC(CN)CC3)nc21.Cl
InChIInChI=1S/C18H26N4O3.ClH/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;1H
InChIKeyHZKYTBGIPRFPJC-UHFFFAOYSA-N
MW382.89 g/mol
LogP1.40
Rot. Bonds5

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

7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride (PubChem CID 71298901) has the molecular formula C18H27ClN4O3 and a molecular weight of 382.89 g/mol. Its IUPAC name is 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
PubChem CID71298901
Molecular FormulaC18H27ClN4O3
Molecular Weight382.89 g/mol
Exact Mass382.18
IUPAC Name7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCOCCn1c(=O)n(C)c(=O)c2ccc(C3CCC(CN)CC3)nc21.Cl
InChIInChI=1S/C18H26N4O3.ClH/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;1H
InChIKeyHZKYTBGIPRFPJC-UHFFFAOYSA-N
XLogP1.40
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 51.40
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;hydrochloride?
The IUPAC name of 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride (CID 71298901) is 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride is COCCn1c(=O)n(C)c(=O)c2ccc(C3CCC(CN)CC3)nc21.Cl.
What is the InChIKey of 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The InChIKey is HZKYTBGIPRFPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3.ClH/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;1H.
What are the key properties of 7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride?
7-[4-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 1.40, 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;hydrochloride is sourced from PubChem (CID 71298901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).