N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide

C19H33N5O5 — CID 30391240

IUPACN-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOCCN(C(=O)CCNC(=O)C(C)(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H33N5O5/c1-12(2)11-24-15(20)14(16(26)22-18(24)28)23(9-10-29-6)13(25)7-8-21-17(27)19(3,4)5/h12H,7-11,20H2,1-6H3,(H,21,27)(H,22,26,28)
InChIKeyKFZZKTPXSXSZKM-UHFFFAOYSA-N
MW411.50 g/mol
LogP0.31
Rot. Bonds9

About N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 30391240) has the molecular formula C19H33N5O5 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID30391240
Molecular FormulaC19H33N5O5
Molecular Weight411.50 g/mol
Exact Mass411.25
IUPAC NameN-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOCCN(C(=O)CCNC(=O)C(C)(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H33N5O5/c1-12(2)11-24-15(20)14(16(26)22-18(24)28)23(9-10-29-6)13(25)7-8-21-17(27)19(3,4)5/h12H,7-11,20H2,1-6H3,(H,21,27)(H,22,26,28)
InChIKeyKFZZKTPXSXSZKM-UHFFFAOYSA-N
XLogP0.31
TPSA139.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide
CID 43000058
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2-methylpropanoate
CID 7782510
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26211603
1-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)thiourea
CID 9093796
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 55666573
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide
CID 8840048
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3-(oxolan-2-yl)propanamide
CID 55605547
4-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 55545228
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] (E)-but-2-enoate
CID 7981154
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 86912912
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 43037608
ethyl 4-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]benzoate
CID 24614988

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 30391240) is N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide is COCCN(C(=O)CCNC(=O)C(C)(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is KFZZKTPXSXSZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O5/c1-12(2)11-24-15(20)14(16(26)22-18(24)28)23(9-10-29-6)13(25)7-8-21-17(27)19(3,4)5/h12H,7-11,20H2,1-6H3,(H,21,27)(H,22,26,28).
What are the key properties of N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 411.50 g/mol, XLogP of 0.31, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 30391240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).