N-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

C11H17IN4O2 — CID 136956234

IUPACN-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H17IN4O2/c1-3-7(2)16-8(17)4-5-13-10-9(12)11(18)15-6-14-10/h6-7H,3-5H2,1-2H3,(H,16,17)(H2,13,14,15,18)
InChIKeyIPLSSWDGUKHEFI-UHFFFAOYSA-N
MW364.19 g/mol
LogP1.09
Rot. Bonds6

About N-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

N-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136956234) has the molecular formula C11H17IN4O2 and a molecular weight of 364.19 g/mol. Its IUPAC name is N-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136956234
Molecular FormulaC11H17IN4O2
Molecular Weight364.19 g/mol
Exact Mass364.04
IUPAC NameN-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H17IN4O2/c1-3-7(2)16-8(17)4-5-13-10-9(12)11(18)15-6-14-10/h6-7H,3-5H2,1-2H3,(H,16,17)(H2,13,14,15,18)
InChIKeyIPLSSWDGUKHEFI-UHFFFAOYSA-N
XLogP1.09
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 66307816
3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 66340439
3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 66341331
N-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66341332
N-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66343120
3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114584142
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671889
5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679997
N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136713574
4-[3-(dimethylamino)propyl-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136752197
4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136800369
4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827342

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136956234) is N-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is CCC(C)NC(=O)CCNc1nc[nH]c(=O)c1I.
What is the InChIKey of N-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is IPLSSWDGUKHEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O2/c1-3-7(2)16-8(17)4-5-13-10-9(12)11(18)15-6-14-10/h6-7H,3-5H2,1-2H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of N-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
N-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 364.19 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136956234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).