N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C23H30N6O5 — CID 135870952

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C23H30N6O5/c1-3-4-12-29-20(24)19(22(32)27-23(29)33)28(13-14-34-2)18(30)11-7-10-17-25-16-9-6-5-8-15(16)21(31)26-17/h5-6,8-9H,3-4,7,10-14,24H2,1-2H3,(H,25,26,31)(H,27,32,33)
InChIKeyDDJVJOZVEHMYRO-UHFFFAOYSA-N
MW470.53 g/mol
LogP1.16
Rot. Bonds11

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135870952) has the molecular formula C23H30N6O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135870952
Molecular FormulaC23H30N6O5
Molecular Weight470.53 g/mol
Exact Mass470.23
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C23H30N6O5/c1-3-4-12-29-20(24)19(22(32)27-23(29)33)28(13-14-34-2)18(30)11-7-10-17-25-16-9-6-5-8-15(16)21(31)26-17/h5-6,8-9H,3-4,7,10-14,24H2,1-2H3,(H,25,26,31)(H,27,32,33)
InChIKeyDDJVJOZVEHMYRO-UHFFFAOYSA-N
XLogP1.16
TPSA156.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-fluorophenoxy)-N-(2-methoxyethyl)acetamide
CID 7505925
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(2-methylpyridin-1-ium-1-yl)acetamide
CID 8717753
4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 2113064
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(1,3-benzothiazol-2-yl)-N-ethylbutanamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135870952) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is CCCCn1c(N)c(N(CCOC)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is DDJVJOZVEHMYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O5/c1-3-4-12-29-20(24)19(22(32)27-23(29)33)28(13-14-34-2)18(30)11-7-10-17-25-16-9-6-5-8-15(16)21(31)26-17/h5-6,8-9H,3-4,7,10-14,24H2,1-2H3,(H,25,26,31)(H,27,32,33).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 470.53 g/mol, XLogP of 1.16, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135870952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).