N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide

C22H29N5O6 — CID 55542670

IUPACN-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)c2cccc(NC(=O)C3CCCO3)c2)c(=O)[nH]c1=O
InChIInChI=1S/C22H29N5O6/c1-3-9-27-18(23)17(20(29)25-22(27)31)26(10-12-32-2)21(30)14-6-4-7-15(13-14)24-19(28)16-8-5-11-33-16/h4,6-7,13,16H,3,5,8-12,23H2,1-2H3,(H,24,28)(H,25,29,31)
InChIKeyDXSQIRWMMUOLIQ-UHFFFAOYSA-N
MW459.50 g/mol
LogP0.94
Rot. Bonds9

About N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 55542670) has the molecular formula C22H29N5O6 and a molecular weight of 459.50 g/mol. Its IUPAC name is N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID55542670
Molecular FormulaC22H29N5O6
Molecular Weight459.50 g/mol
Exact Mass459.21
IUPAC NameN-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)c2cccc(NC(=O)C3CCCO3)c2)c(=O)[nH]c1=O
InChIInChI=1S/C22H29N5O6/c1-3-9-27-18(23)17(20(29)25-22(27)31)26(10-12-32-2)21(30)14-6-4-7-15(13-14)24-19(28)16-8-5-11-33-16/h4,6-7,13,16H,3,5,8-12,23H2,1-2H3,(H,24,28)(H,25,29,31)
InChIKeyDXSQIRWMMUOLIQ-UHFFFAOYSA-N
XLogP0.94
TPSA148.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4848554
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 26291971
N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 55545886
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-(cyclopropanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 55340557
N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-butylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55381277
N-[3-[ethyl(phenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46548651
N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55582201
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea
CID 9095201
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(cyclopropanecarbonylamino)benzamide
CID 55335336
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,5-dichloro-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 39773263
4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 2113064

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 55542670) is N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide is CCCn1c(N)c(N(CCOC)C(=O)c2cccc(NC(=O)C3CCCO3)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is DXSQIRWMMUOLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O6/c1-3-9-27-18(23)17(20(29)25-22(27)31)26(10-12-32-2)21(30)14-6-4-7-15(13-14)24-19(28)16-8-5-11-33-16/h4,6-7,13,16H,3,5,8-12,23H2,1-2H3,(H,24,28)(H,25,29,31).
What are the key properties of N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 0.94, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55542670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).