N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide

C9H11IN4O2 — CID 136956133

IUPACN-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESO=C(CNc1nc[nH]c(=O)c1I)NC1CC1
InChIInChI=1S/C9H11IN4O2/c10-7-8(12-4-13-9(7)16)11-3-6(15)14-5-1-2-5/h4-5H,1-3H2,(H,14,15)(H2,11,12,13,16)
InChIKeyNQCXYEBVKKIOEQ-UHFFFAOYSA-N
MW334.12 g/mol
LogP0.06
Rot. Bonds4

About N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide

N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide (PubChem CID 136956133) has the molecular formula C9H11IN4O2 and a molecular weight of 334.12 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
PubChem CID136956133
Molecular FormulaC9H11IN4O2
Molecular Weight334.12 g/mol
Exact Mass333.99
IUPAC NameN-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESO=C(CNc1nc[nH]c(=O)c1I)NC1CC1
InChIInChI=1S/C9H11IN4O2/c10-7-8(12-4-13-9(7)16)11-3-6(15)14-5-1-2-5/h4-5H,1-3H2,(H,14,15)(H2,11,12,13,16)
InChIKeyNQCXYEBVKKIOEQ-UHFFFAOYSA-N
XLogP0.06
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.12
LogP ≤ 50.06
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

2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 136993962
4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956038
4-[(2-chloro-2-cyclopropylethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971924
5-iodo-4-(pyrrolidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136978824
4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136689230
5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
CID 136879289
4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
CID 137015485
2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide
CID 79556332
4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 137269982
4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 137008663
4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956815
4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136857219

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide (CID 136956133) is N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide is O=C(CNc1nc[nH]c(=O)c1I)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The InChIKey is NQCXYEBVKKIOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN4O2/c10-7-8(12-4-13-9(7)16)11-3-6(15)14-5-1-2-5/h4-5H,1-3H2,(H,14,15)(H2,11,12,13,16).
What are the key properties of N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide has a molecular weight of 334.12 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 136956133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).