5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one

C10H15IN4O — CID 136879289

IUPAC5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC[C@H]2CCCN2)c1I
InChIInChI=1S/C10H15IN4O/c11-8-9(14-6-15-10(8)16)13-5-3-7-2-1-4-12-7/h6-7,12H,1-5H2,(H2,13,14,15,16)/t7-/m1/s1
InChIKeyHGOSJNRDDNRHIK-SSDOTTSWSA-N
MW334.16 g/mol
LogP0.93
Rot. Bonds4

About 5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one

5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one (PubChem CID 136879289) has the molecular formula C10H15IN4O and a molecular weight of 334.16 g/mol. Its IUPAC name is 5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
PubChem CID136879289
Molecular FormulaC10H15IN4O
Molecular Weight334.16 g/mol
Exact Mass334.03
IUPAC Name5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC[C@H]2CCCN2)c1I
InChIInChI=1S/C10H15IN4O/c11-8-9(14-6-15-10(8)16)13-5-3-7-2-1-4-12-7/h6-7,12H,1-5H2,(H2,13,14,15,16)/t7-/m1/s1
InChIKeyHGOSJNRDDNRHIK-SSDOTTSWSA-N
XLogP0.93
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 50.93
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

5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one
CID 137012703
5-iodo-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754599
5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973134
4-[2-(4-aminophenyl)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136989314
4-[2-(3,5-difluorophenyl)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956551
4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136689230
3-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973363
5-iodo-4-(pyrrolidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136978824
3,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973149
5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977117
5-iodo-4-(3-methylsulfanylpropylamino)-1H-pyrimidin-6-one
CID 136975807
3,5-dibromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104973107

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one (CID 136879289) is 5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one is O=c1[nH]cnc(NCC[C@H]2CCCN2)c1I.
What is the InChIKey of 5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one?
The InChIKey is HGOSJNRDDNRHIK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15IN4O/c11-8-9(14-6-15-10(8)16)13-5-3-7-2-1-4-12-7/h6-7,12H,1-5H2,(H2,13,14,15,16)/t7-/m1/s1.
What are the key properties of 5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one?
5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one has a molecular weight of 334.16 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136879289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).