6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione

C21H30N4O3 — CID 46594963

IUPAC6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(N(Cc2ccccc2)CC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H30N4O3/c1-28-13-12-25-19(22)18(20(26)23-21(25)27)24(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2,4-5,8-9,17H,3,6-7,10-15,22H2,1H3,(H,23,26,27)
InChIKeySXZLMVVIPIHQJK-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.35
Rot. Bonds8

About 6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 46594963) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID46594963
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(N(Cc2ccccc2)CC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H30N4O3/c1-28-13-12-25-19(22)18(20(26)23-21(25)27)24(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2,4-5,8-9,17H,3,6-7,10-15,22H2,1H3,(H,23,26,27)
InChIKeySXZLMVVIPIHQJK-UHFFFAOYSA-N
XLogP2.35
TPSA93.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-[benzyl-[(2,6-dichlorophenyl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 36956398
6-amino-5-[benzyl-[2-(4-chlorophenoxy)ethyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 38777857
6-amino-5-[benzyl-[2-(4-nitrophenyl)ethyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 55851918
6-amino-5-[benzyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 38777873
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,2-dichlorocyclopropane-1-carboxamide
CID 42906790
6-amino-5-[benzyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 112841376
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide
CID 31301943
(E)-N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-phenylprop-2-enamide
CID 7998169
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(cyclopropanecarbonylamino)benzamide
CID 55335336
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclopentyl-N-(2-methoxyethyl)propanamide
CID 26120762
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(1-methylpyrazol-3-yl)acetamide
CID 166207619
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600439

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 46594963) is 6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(N(Cc2ccccc2)CC2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is SXZLMVVIPIHQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-28-13-12-25-19(22)18(20(26)23-21(25)27)24(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2,4-5,8-9,17H,3,6-7,10-15,22H2,1H3,(H,23,26,27).
What are the key properties of 6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 386.50 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[benzyl(cyclohexylmethyl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 46594963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).